2-(4-tert-butylpiperazin-1-yl)-4-propan-2-ylpyrimidine;2-[(3R)-3,4-dimethylpiperazin-1-yl]-4-propan-2-ylpyrimidine;N,N-dimethyl-4-(4-propan-2-ylpyrimidin-2-yl)piperazine-1-carboxamide;2-(4-ethylpiperazin-1-yl)-4-propan-2-ylpyrimidine;2-[(3R)-3-methyl-4-propan-2-ylpiperazin-1-yl]-4-propan-2-ylpyrimidine;2-[(3S)-3-methyl-4-propan-2-ylpiperazin-1-yl]-4-propan-2-ylpyrimidine;2-piperazin-1-yl-4-propan-2-ylpyrimidine;4-propan-2-yl-2-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]pyrimidine

C110H184F3N33O — CID 159081328

IUPAC2-(4-tert-butylpiperazin-1-yl)-4-propan-2-ylpyrimidine;2-[(3R)-3,4-dimethylpiperazin-1-yl]-4-propan-2-ylpyrimidine;N,N-dimethyl-4-(4-propan-2-ylpyrimidin-2-yl)piperazine-1-carboxamide;2-(4-ethylpiperazin-1-yl)-4-propan-2-ylpyrimidine;2-[(3R)-3-methyl-4-propan-2-ylpiperazin-1-yl]-4-propan-2-ylpyrimidine;2-[(3S)-3-methyl-4-propan-2-ylpiperazin-1-yl]-4-propan-2-ylpyrimidine;2-piperazin-1-yl-4-propan-2-ylpyrimidine;4-propan-2-yl-2-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]pyrimidine
SMILESCC(C)c1ccnc(N2CCN(C(=O)N(C)C)CC2)n1.CC(C)c1ccnc(N2CCN(C(C)(C)C)CC2)n1.CC(C)c1ccnc(N2CCN(C(C)C(F)(F)F)CC2)n1.CC(C)c1ccnc(N2CCN(C(C)C)[C@@H](C)C2)n1.CC(C)c1ccnc(N2CCN(C(C)C)[C@H](C)C2)n1.CC(C)c1ccnc(N2CCN(C)[C@H](C)C2)n1.CC(C)c1ccnc(N2CCNCC2)n1.CCN1CCN(c2nccc(C(C)C)n2)CC1
InChIInChI=1S/3C15H26N4.C14H21F3N4.C14H23N5O.2C13H22N4.C11H18N4/c1-12(2)13-6-7-16-14(17-13)18-8-10-19(11-9-18)15(3,4)5;2*1-11(2)14-6-7-16-15(17-14)18-8-9-19(12(3)4)13(5)10-18;1-10(2)12-4-5-18-13(19-12)21-8-6-20(7-9-21)11(3)14(15,16)17;1-11(2)12-5-6-15-13(16-12)18-7-9-19(10-8-18)14(20)17(3)4;1-10(2)12-5-6-14-13(15-12)17-8-7-16(4)11(3)9-17;1-4-16-7-9-17(10-8-16)13-14-6-5-12(15-13)11(2)3;1-9(2)10-3-4-13-11(14-10)15-7-5-12-6-8-15/h6-7,12H,8-11H2,1-5H3;2*6-7,11-13H,8-10H2,1-5H3;4-5,10-11H,6-9H2,1-3H3;5-6,11H,7-10H2,1-4H3;5-6,10-11H,7-9H2,1-4H3;5-6,11H,4,7-10H2,1-3H3;3-4,9,12H,5-8H2,1-2H3/t;2*13-;;;11-;;/m.10..1../s1
InChIKeyKAWXPFDYKCEUJO-WNUHGZIQSA-N
MW2041.91 g/mol
LogP16.13
Rot. Bonds20

About 2-(4-tert-butylpiperazin-1-yl)-4-propan-2-ylpyrimidine;2-[(3R)-3,4-dimethylpiperazin-1-yl]-4-propan-2-ylpyrimidine;N,N-dimethyl-4-(4-propan-2-ylpyrimidin-2-yl)piperazine-1-carboxamide;2-(4-ethylpiperazin-1-yl)-4-propan-2-ylpyrimidine;2-[(3R)-3-methyl-4-propan-2-ylpiperazin-1-yl]-4-propan-2-ylpyrimidine;2-[(3S)-3-methyl-4-propan-2-ylpiperazin-1-yl]-4-propan-2-ylpyrimidine;2-piperazin-1-yl-4-propan-2-ylpyrimidine;4-propan-2-yl-2-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]pyrimidine

2-(4-tert-butylpiperazin-1-yl)-4-propan-2-ylpyrimidine;2-[(3R)-3,4-dimethylpiperazin-1-yl]-4-propan-2-ylpyrimidine;N,N-dimethyl-4-(4-propan-2-ylpyrimidin-2-yl)piperazine-1-carboxamide;2-(4-ethylpiperazin-1-yl)-4-propan-2-ylpyrimidine;2-[(3R)-3-methyl-4-propan-2-ylpiperazin-1-yl]-4-propan-2-ylpyrimidine;2-[(3S)-3-methyl-4-propan-2-ylpiperazin-1-yl]-4-propan-2-ylpyrimidine;2-piperazin-1-yl-4-propan-2-ylpyrimidine;4-propan-2-yl-2-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]pyrimidine (PubChem CID 159081328) has the molecular formula C110H184F3N33O and a molecular weight of 2041.91 g/mol. Its IUPAC name is 2-(4-tert-butylpiperazin-1-yl)-4-propan-2-ylpyrimidine;2-[(3R)-3,4-dimethylpiperazin-1-yl]-4-propan-2-ylpyrimidine;N,N-dimethyl-4-(4-propan-2-ylpyrimidin-2-yl)piperazine-1-carboxamide;2-(4-ethylpiperazin-1-yl)-4-propan-2-ylpyrimidine;2-[(3R)-3-methyl-4-propan-2-ylpiperazin-1-yl]-4-propan-2-ylpyrimidine;2-[(3S)-3-methyl-4-propan-2-ylpiperazin-1-yl]-4-propan-2-ylpyrimidine;2-piperazin-1-yl-4-propan-2-ylpyrimidine;4-propan-2-yl-2-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name2-(4-tert-butylpiperazin-1-yl)-4-propan-2-ylpyrimidine;2-[(3R)-3,4-dimethylpiperazin-1-yl]-4-propan-2-ylpyrimidine;N,N-dimethyl-4-(4-propan-2-ylpyrimidin-2-yl)piperazine-1-carboxamide;2-(4-ethylpiperazin-1-yl)-4-propan-2-ylpyrimidine;2-[(3R)-3-methyl-4-propan-2-ylpiperazin-1-yl]-4-propan-2-ylpyrimidine;2-[(3S)-3-methyl-4-propan-2-ylpiperazin-1-yl]-4-propan-2-ylpyrimidine;2-piperazin-1-yl-4-propan-2-ylpyrimidine;4-propan-2-yl-2-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]pyrimidine
PubChem CID159081328
Molecular FormulaC110H184F3N33O
Molecular Weight2041.91 g/mol
Exact Mass2040.53
IUPAC Name2-(4-tert-butylpiperazin-1-yl)-4-propan-2-ylpyrimidine;2-[(3R)-3,4-dimethylpiperazin-1-yl]-4-propan-2-ylpyrimidine;N,N-dimethyl-4-(4-propan-2-ylpyrimidin-2-yl)piperazine-1-carboxamide;2-(4-ethylpiperazin-1-yl)-4-propan-2-ylpyrimidine;2-[(3R)-3-methyl-4-propan-2-ylpiperazin-1-yl]-4-propan-2-ylpyrimidine;2-[(3S)-3-methyl-4-propan-2-ylpiperazin-1-yl]-4-propan-2-ylpyrimidine;2-piperazin-1-yl-4-propan-2-ylpyrimidine;4-propan-2-yl-2-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]pyrimidine
SMILESCC(C)c1ccnc(N2CCN(C(=O)N(C)C)CC2)n1.CC(C)c1ccnc(N2CCN(C(C)(C)C)CC2)n1.CC(C)c1ccnc(N2CCN(C(C)C(F)(F)F)CC2)n1.CC(C)c1ccnc(N2CCN(C(C)C)[C@@H](C)C2)n1.CC(C)c1ccnc(N2CCN(C(C)C)[C@H](C)C2)n1.CC(C)c1ccnc(N2CCN(C)[C@H](C)C2)n1.CC(C)c1ccnc(N2CCNCC2)n1.CCN1CCN(c2nccc(C(C)C)n2)CC1
InChIInChI=1S/3C15H26N4.C14H21F3N4.C14H23N5O.2C13H22N4.C11H18N4/c1-12(2)13-6-7-16-14(17-13)18-8-10-19(11-9-18)15(3,4)5;2*1-11(2)14-6-7-16-15(17-14)18-8-9-19(12(3)4)13(5)10-18;1-10(2)12-4-5-18-13(19-12)21-8-6-20(7-9-21)11(3)14(15,16)17;1-11(2)12-5-6-15-13(16-12)18-7-9-19(10-8-18)14(20)17(3)4;1-10(2)12-5-6-14-13(15-12)17-8-7-16(4)11(3)9-17;1-4-16-7-9-17(10-8-16)13-14-6-5-12(15-13)11(2)3;1-9(2)10-3-4-13-11(14-10)15-7-5-12-6-8-15/h6-7,12H,8-11H2,1-5H3;2*6-7,11-13H,8-10H2,1-5H3;4-5,10-11H,6-9H2,1-3H3;5-6,11H,7-10H2,1-4H3;5-6,10-11H,7-9H2,1-4H3;5-6,11H,4,7-10H2,1-3H3;3-4,9,12H,5-8H2,1-2H3/t;2*13-;;;11-;;/m.10..1../s1
InChIKeyKAWXPFDYKCEUJO-WNUHGZIQSA-N
XLogP16.13
TPSA287.18 Ų
H-Bond Donors1
H-Bond Acceptors32
Rotatable Bonds20
Heavy Atoms147
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002041.91
LogP ≤ 516.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1032

Analyze 2-(4-tert-butylpiperazin-1-yl)-4-propan-2-ylpyrimidine;2-[(3R)-3,4-dimethylpiperazin-1-yl]-4-propan-2-ylpyrimidine;N,N-dimethyl-4-(4-propan-2-ylpyrimidin-2-yl)piperazine-1-carboxamide;2-(4-ethylpiperazin-1-yl)-4-propan-2-ylpyrimidine;2-[(3R)-3-methyl-4-propan-2-ylpiperazin-1-yl]-4-propan-2-ylpyrimidine;2-[(3S)-3-methyl-4-propan-2-ylpiperazin-1-yl]-4-propan-2-ylpyrimidine;2-piperazin-1-yl-4-propan-2-ylpyrimidine;4-propan-2-yl-2-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]pyrimidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylpiperazin-1-yl)-4-propan-2-ylpyrimidine;2-[(3R)-3,4-dimethylpiperazin-1-yl]-4-propan-2-ylpyrimidine;N,N-dimethyl-4-(4-propan-2-ylpyrimidin-2-yl)piperazine-1-carboxamide;2-(4-ethylpiperazin-1-yl)-4-propan-2-ylpyrimidine;2-[(3R)-3-methyl-4-propan-2-ylpiperazin-1-yl]-4-propan-2-ylpyrimidine;2-[(3S)-3-methyl-4-propan-2-ylpiperazin-1-yl]-4-propan-2-ylpyrimidine;2-piperazin-1-yl-4-propan-2-ylpyrimidine;4-propan-2-yl-2-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]pyrimidine?
The IUPAC name of 2-(4-tert-butylpiperazin-1-yl)-4-propan-2-ylpyrimidine;2-[(3R)-3,4-dimethylpiperazin-1-yl]-4-propan-2-ylpyrimidine;N,N-dimethyl-4-(4-propan-2-ylpyrimidin-2-yl)piperazine-1-carboxamide;2-(4-ethylpiperazin-1-yl)-4-propan-2-ylpyrimidine;2-[(3R)-3-methyl-4-propan-2-ylpiperazin-1-yl]-4-propan-2-ylpyrimidine;2-[(3S)-3-methyl-4-propan-2-ylpiperazin-1-yl]-4-propan-2-ylpyrimidine;2-piperazin-1-yl-4-propan-2-ylpyrimidine;4-propan-2-yl-2-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]pyrimidine (CID 159081328) is 2-(4-tert-butylpiperazin-1-yl)-4-propan-2-ylpyrimidine;2-[(3R)-3,4-dimethylpiperazin-1-yl]-4-propan-2-ylpyrimidine;N,N-dimethyl-4-(4-propan-2-ylpyrimidin-2-yl)piperazine-1-carboxamide;2-(4-ethylpiperazin-1-yl)-4-propan-2-ylpyrimidine;2-[(3R)-3-methyl-4-propan-2-ylpiperazin-1-yl]-4-propan-2-ylpyrimidine;2-[(3S)-3-methyl-4-propan-2-ylpiperazin-1-yl]-4-propan-2-ylpyrimidine;2-piperazin-1-yl-4-propan-2-ylpyrimidine;4-propan-2-yl-2-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]pyrimidine.
What is the SMILES notation for 2-(4-tert-butylpiperazin-1-yl)-4-propan-2-ylpyrimidine;2-[(3R)-3,4-dimethylpiperazin-1-yl]-4-propan-2-ylpyrimidine;N,N-dimethyl-4-(4-propan-2-ylpyrimidin-2-yl)piperazine-1-carboxamide;2-(4-ethylpiperazin-1-yl)-4-propan-2-ylpyrimidine;2-[(3R)-3-methyl-4-propan-2-ylpiperazin-1-yl]-4-propan-2-ylpyrimidine;2-[(3S)-3-methyl-4-propan-2-ylpiperazin-1-yl]-4-propan-2-ylpyrimidine;2-piperazin-1-yl-4-propan-2-ylpyrimidine;4-propan-2-yl-2-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]pyrimidine?
The canonical SMILES for 2-(4-tert-butylpiperazin-1-yl)-4-propan-2-ylpyrimidine;2-[(3R)-3,4-dimethylpiperazin-1-yl]-4-propan-2-ylpyrimidine;N,N-dimethyl-4-(4-propan-2-ylpyrimidin-2-yl)piperazine-1-carboxamide;2-(4-ethylpiperazin-1-yl)-4-propan-2-ylpyrimidine;2-[(3R)-3-methyl-4-propan-2-ylpiperazin-1-yl]-4-propan-2-ylpyrimidine;2-[(3S)-3-methyl-4-propan-2-ylpiperazin-1-yl]-4-propan-2-ylpyrimidine;2-piperazin-1-yl-4-propan-2-ylpyrimidine;4-propan-2-yl-2-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]pyrimidine is CC(C)c1ccnc(N2CCN(C(=O)N(C)C)CC2)n1.CC(C)c1ccnc(N2CCN(C(C)(C)C)CC2)n1.CC(C)c1ccnc(N2CCN(C(C)C(F)(F)F)CC2)n1.CC(C)c1ccnc(N2CCN(C(C)C)[C@@H](C)C2)n1.CC(C)c1ccnc(N2CCN(C(C)C)[C@H](C)C2)n1.CC(C)c1ccnc(N2CCN(C)[C@H](C)C2)n1.CC(C)c1ccnc(N2CCNCC2)n1.CCN1CCN(c2nccc(C(C)C)n2)CC1.
What is the InChIKey of 2-(4-tert-butylpiperazin-1-yl)-4-propan-2-ylpyrimidine;2-[(3R)-3,4-dimethylpiperazin-1-yl]-4-propan-2-ylpyrimidine;N,N-dimethyl-4-(4-propan-2-ylpyrimidin-2-yl)piperazine-1-carboxamide;2-(4-ethylpiperazin-1-yl)-4-propan-2-ylpyrimidine;2-[(3R)-3-methyl-4-propan-2-ylpiperazin-1-yl]-4-propan-2-ylpyrimidine;2-[(3S)-3-methyl-4-propan-2-ylpiperazin-1-yl]-4-propan-2-ylpyrimidine;2-piperazin-1-yl-4-propan-2-ylpyrimidine;4-propan-2-yl-2-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]pyrimidine?
The InChIKey is KAWXPFDYKCEUJO-WNUHGZIQSA-N. The full InChI is InChI=1S/3C15H26N4.C14H21F3N4.C14H23N5O.2C13H22N4.C11H18N4/c1-12(2)13-6-7-16-14(17-13)18-8-10-19(11-9-18)15(3,4)5;2*1-11(2)14-6-7-16-15(17-14)18-8-9-19(12(3)4)13(5)10-18;1-10(2)12-4-5-18-13(19-12)21-8-6-20(7-9-21)11(3)14(15,16)17;1-11(2)12-5-6-15-13(16-12)18-7-9-19(10-8-18)14(20)17(3)4;1-10(2)12-5-6-14-13(15-12)17-8-7-16(4)11(3)9-17;1-4-16-7-9-17(10-8-16)13-14-6-5-12(15-13)11(2)3;1-9(2)10-3-4-13-11(14-10)15-7-5-12-6-8-15/h6-7,12H,8-11H2,1-5H3;2*6-7,11-13H,8-10H2,1-5H3;4-5,10-11H,6-9H2,1-3H3;5-6,11H,7-10H2,1-4H3;5-6,10-11H,7-9H2,1-4H3;5-6,11H,4,7-10H2,1-3H3;3-4,9,12H,5-8H2,1-2H3/t;2*13-;;;11-;;/m.10..1../s1.
What are the key properties of 2-(4-tert-butylpiperazin-1-yl)-4-propan-2-ylpyrimidine;2-[(3R)-3,4-dimethylpiperazin-1-yl]-4-propan-2-ylpyrimidine;N,N-dimethyl-4-(4-propan-2-ylpyrimidin-2-yl)piperazine-1-carboxamide;2-(4-ethylpiperazin-1-yl)-4-propan-2-ylpyrimidine;2-[(3R)-3-methyl-4-propan-2-ylpiperazin-1-yl]-4-propan-2-ylpyrimidine;2-[(3S)-3-methyl-4-propan-2-ylpiperazin-1-yl]-4-propan-2-ylpyrimidine;2-piperazin-1-yl-4-propan-2-ylpyrimidine;4-propan-2-yl-2-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]pyrimidine?
2-(4-tert-butylpiperazin-1-yl)-4-propan-2-ylpyrimidine;2-[(3R)-3,4-dimethylpiperazin-1-yl]-4-propan-2-ylpyrimidine;N,N-dimethyl-4-(4-propan-2-ylpyrimidin-2-yl)piperazine-1-carboxamide;2-(4-ethylpiperazin-1-yl)-4-propan-2-ylpyrimidine;2-[(3R)-3-methyl-4-propan-2-ylpiperazin-1-yl]-4-propan-2-ylpyrimidine;2-[(3S)-3-methyl-4-propan-2-ylpiperazin-1-yl]-4-propan-2-ylpyrimidine;2-piperazin-1-yl-4-propan-2-ylpyrimidine;4-propan-2-yl-2-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]pyrimidine has a molecular weight of 2041.91 g/mol, XLogP of 16.13, 20 rotatable bonds, 1 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylpiperazin-1-yl)-4-propan-2-ylpyrimidine;2-[(3R)-3,4-dimethylpiperazin-1-yl]-4-propan-2-ylpyrimidine;N,N-dimethyl-4-(4-propan-2-ylpyrimidin-2-yl)piperazine-1-carboxamide;2-(4-ethylpiperazin-1-yl)-4-propan-2-ylpyrimidine;2-[(3R)-3-methyl-4-propan-2-ylpiperazin-1-yl]-4-propan-2-ylpyrimidine;2-[(3S)-3-methyl-4-propan-2-ylpiperazin-1-yl]-4-propan-2-ylpyrimidine;2-piperazin-1-yl-4-propan-2-ylpyrimidine;4-propan-2-yl-2-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]pyrimidine is sourced from PubChem (CID 159081328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).