6-tert-butyl-2-(4-tert-butylpiperazin-1-yl)-N-(oxetan-3-yl)pyrimidin-4-amine;6-tert-butyl-2-(4-ethylpiperazin-1-yl)-N-(oxetan-3-yl)pyrimidin-4-amine;6-tert-butyl-N-(oxetan-3-yl)-2-(4-propan-2-ylpiperazin-1-yl)pyrimidin-4-amine;[4-[(4-tert-butyl-2-pyridinyl)amino]piperidin-1-yl]-cyclopropylmethanone;1-[4-[(4-tert-butyl-2-pyridinyl)amino]piperidin-1-yl]-2,2-dimethylpropan-1-one;1-[3-(6-tert-butylpyrimidin-4-yl)oxyazetidin-1-yl]ethanone

C104H170N24O7 — CID 162017612

IUPAC6-tert-butyl-2-(4-tert-butylpiperazin-1-yl)-N-(oxetan-3-yl)pyrimidin-4-amine;6-tert-butyl-2-(4-ethylpiperazin-1-yl)-N-(oxetan-3-yl)pyrimidin-4-amine;6-tert-butyl-N-(oxetan-3-yl)-2-(4-propan-2-ylpiperazin-1-yl)pyrimidin-4-amine;[4-[(4-tert-butyl-2-pyridinyl)amino]piperidin-1-yl]-cyclopropylmethanone;1-[4-[(4-tert-butyl-2-pyridinyl)amino]piperidin-1-yl]-2,2-dimethylpropan-1-one;1-[3-(6-tert-butylpyrimidin-4-yl)oxyazetidin-1-yl]ethanone
SMILESCC(=O)N1CC(Oc2cc(C(C)(C)C)ncn2)C1.CC(C)(C)C(=O)N1CCC(Nc2cc(C(C)(C)C)ccn2)CC1.CC(C)(C)c1cc(NC2COC2)nc(N2CCN(C(C)(C)C)CC2)n1.CC(C)(C)c1ccnc(NC2CCN(C(=O)C3CC3)CC2)c1.CC(C)N1CCN(c2nc(NC3COC3)cc(C(C)(C)C)n2)CC1.CCN1CCN(c2nc(NC3COC3)cc(C(C)(C)C)n2)CC1
InChIInChI=1S/C19H33N5O.C19H31N3O.C18H31N5O.C18H27N3O.C17H29N5O.C13H19N3O2/c1-18(2,3)15-11-16(20-14-12-25-13-14)22-17(21-15)23-7-9-24(10-8-23)19(4,5)6;1-18(2,3)14-7-10-20-16(13-14)21-15-8-11-22(12-9-15)17(23)19(4,5)6;1-13(2)22-6-8-23(9-7-22)17-20-15(18(3,4)5)10-16(21-17)19-14-11-24-12-14;1-18(2,3)14-6-9-19-16(12-14)20-15-7-10-21(11-8-15)17(22)13-4-5-13;1-5-21-6-8-22(9-7-21)16-19-14(17(2,3)4)10-15(20-16)18-13-11-23-12-13;1-9(17)16-6-10(7-16)18-12-5-11(13(2,3)4)14-8-15-12/h11,14H,7-10,12-13H2,1-6H3,(H,20,21,22);7,10,13,15H,8-9,11-12H2,1-6H3,(H,20,21);10,13-14H,6-9,11-12H2,1-5H3,(H,19,20,21);6,9,12-13,15H,4-5,7-8,10-11H2,1-3H3,(H,19,20);10,13H,5-9,11-12H2,1-4H3,(H,18,19,20);5,8,10H,6-7H2,1-4H3
InChIKeyYUHZFORJMVSQOM-UHFFFAOYSA-N
MW1868.66 g/mol
LogP14.75
Rot. Bonds18

About 6-tert-butyl-2-(4-tert-butylpiperazin-1-yl)-N-(oxetan-3-yl)pyrimidin-4-amine;6-tert-butyl-2-(4-ethylpiperazin-1-yl)-N-(oxetan-3-yl)pyrimidin-4-amine;6-tert-butyl-N-(oxetan-3-yl)-2-(4-propan-2-ylpiperazin-1-yl)pyrimidin-4-amine;[4-[(4-tert-butyl-2-pyridinyl)amino]piperidin-1-yl]-cyclopropylmethanone;1-[4-[(4-tert-butyl-2-pyridinyl)amino]piperidin-1-yl]-2,2-dimethylpropan-1-one;1-[3-(6-tert-butylpyrimidin-4-yl)oxyazetidin-1-yl]ethanone

6-tert-butyl-2-(4-tert-butylpiperazin-1-yl)-N-(oxetan-3-yl)pyrimidin-4-amine;6-tert-butyl-2-(4-ethylpiperazin-1-yl)-N-(oxetan-3-yl)pyrimidin-4-amine;6-tert-butyl-N-(oxetan-3-yl)-2-(4-propan-2-ylpiperazin-1-yl)pyrimidin-4-amine;[4-[(4-tert-butyl-2-pyridinyl)amino]piperidin-1-yl]-cyclopropylmethanone;1-[4-[(4-tert-butyl-2-pyridinyl)amino]piperidin-1-yl]-2,2-dimethylpropan-1-one;1-[3-(6-tert-butylpyrimidin-4-yl)oxyazetidin-1-yl]ethanone (PubChem CID 162017612) has the molecular formula C104H170N24O7 and a molecular weight of 1868.66 g/mol. Its IUPAC name is 6-tert-butyl-2-(4-tert-butylpiperazin-1-yl)-N-(oxetan-3-yl)pyrimidin-4-amine;6-tert-butyl-2-(4-ethylpiperazin-1-yl)-N-(oxetan-3-yl)pyrimidin-4-amine;6-tert-butyl-N-(oxetan-3-yl)-2-(4-propan-2-ylpiperazin-1-yl)pyrimidin-4-amine;[4-[(4-tert-butyl-2-pyridinyl)amino]piperidin-1-yl]-cyclopropylmethanone;1-[4-[(4-tert-butyl-2-pyridinyl)amino]piperidin-1-yl]-2,2-dimethylpropan-1-one;1-[3-(6-tert-butylpyrimidin-4-yl)oxyazetidin-1-yl]ethanone.

Molecular Properties

Compound Name6-tert-butyl-2-(4-tert-butylpiperazin-1-yl)-N-(oxetan-3-yl)pyrimidin-4-amine;6-tert-butyl-2-(4-ethylpiperazin-1-yl)-N-(oxetan-3-yl)pyrimidin-4-amine;6-tert-butyl-N-(oxetan-3-yl)-2-(4-propan-2-ylpiperazin-1-yl)pyrimidin-4-amine;[4-[(4-tert-butyl-2-pyridinyl)amino]piperidin-1-yl]-cyclopropylmethanone;1-[4-[(4-tert-butyl-2-pyridinyl)amino]piperidin-1-yl]-2,2-dimethylpropan-1-one;1-[3-(6-tert-butylpyrimidin-4-yl)oxyazetidin-1-yl]ethanone
PubChem CID162017612
Molecular FormulaC104H170N24O7
Molecular Weight1868.66 g/mol
Exact Mass1867.37
IUPAC Name6-tert-butyl-2-(4-tert-butylpiperazin-1-yl)-N-(oxetan-3-yl)pyrimidin-4-amine;6-tert-butyl-2-(4-ethylpiperazin-1-yl)-N-(oxetan-3-yl)pyrimidin-4-amine;6-tert-butyl-N-(oxetan-3-yl)-2-(4-propan-2-ylpiperazin-1-yl)pyrimidin-4-amine;[4-[(4-tert-butyl-2-pyridinyl)amino]piperidin-1-yl]-cyclopropylmethanone;1-[4-[(4-tert-butyl-2-pyridinyl)amino]piperidin-1-yl]-2,2-dimethylpropan-1-one;1-[3-(6-tert-butylpyrimidin-4-yl)oxyazetidin-1-yl]ethanone
SMILESCC(=O)N1CC(Oc2cc(C(C)(C)C)ncn2)C1.CC(C)(C)C(=O)N1CCC(Nc2cc(C(C)(C)C)ccn2)CC1.CC(C)(C)c1cc(NC2COC2)nc(N2CCN(C(C)(C)C)CC2)n1.CC(C)(C)c1ccnc(NC2CCN(C(=O)C3CC3)CC2)c1.CC(C)N1CCN(c2nc(NC3COC3)cc(C(C)(C)C)n2)CC1.CCN1CCN(c2nc(NC3COC3)cc(C(C)(C)C)n2)CC1
InChIInChI=1S/C19H33N5O.C19H31N3O.C18H31N5O.C18H27N3O.C17H29N5O.C13H19N3O2/c1-18(2,3)15-11-16(20-14-12-25-13-14)22-17(21-15)23-7-9-24(10-8-23)19(4,5)6;1-18(2,3)14-7-10-20-16(13-14)21-15-8-11-22(12-9-15)17(23)19(4,5)6;1-13(2)22-6-8-23(9-7-22)17-20-15(18(3,4)5)10-16(21-17)19-14-11-24-12-14;1-18(2,3)14-6-9-19-16(12-14)20-15-7-10-21(11-8-15)17(22)13-4-5-13;1-5-21-6-8-22(9-7-21)16-19-14(17(2,3)4)10-15(20-16)18-13-11-23-12-13;1-9(17)16-6-10(7-16)18-12-5-11(13(2,3)4)14-8-15-12/h11,14H,7-10,12-13H2,1-6H3,(H,20,21,22);7,10,13,15H,8-9,11-12H2,1-6H3,(H,20,21);10,13-14H,6-9,11-12H2,1-5H3,(H,19,20,21);6,9,12-13,15H,4-5,7-8,10-11H2,1-3H3,(H,19,20);10,13H,5-9,11-12H2,1-4H3,(H,18,19,20);5,8,10H,6-7H2,1-4H3
InChIKeyYUHZFORJMVSQOM-UHFFFAOYSA-N
XLogP14.75
TPSA306.34 Ų
H-Bond Donors5
H-Bond Acceptors28
Rotatable Bonds18
Heavy Atoms135
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001868.66
LogP ≤ 514.75
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1028

Analyze 6-tert-butyl-2-(4-tert-butylpiperazin-1-yl)-N-(oxetan-3-yl)pyrimidin-4-amine;6-tert-butyl-2-(4-ethylpiperazin-1-yl)-N-(oxetan-3-yl)pyrimidin-4-amine;6-tert-butyl-N-(oxetan-3-yl)-2-(4-propan-2-ylpiperazin-1-yl)pyrimidin-4-amine;[4-[(4-tert-butyl-2-pyridinyl)amino]piperidin-1-yl]-cyclopropylmethanone;1-[4-[(4-tert-butyl-2-pyridinyl)amino]piperidin-1-yl]-2,2-dimethylpropan-1-one;1-[3-(6-tert-butylpyrimidin-4-yl)oxyazetidin-1-yl]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-2-(4-tert-butylpiperazin-1-yl)-N-(oxetan-3-yl)pyrimidin-4-amine;6-tert-butyl-2-(4-ethylpiperazin-1-yl)-N-(oxetan-3-yl)pyrimidin-4-amine;6-tert-butyl-N-(oxetan-3-yl)-2-(4-propan-2-ylpiperazin-1-yl)pyrimidin-4-amine;[4-[(4-tert-butyl-2-pyridinyl)amino]piperidin-1-yl]-cyclopropylmethanone;1-[4-[(4-tert-butyl-2-pyridinyl)amino]piperidin-1-yl]-2,2-dimethylpropan-1-one;1-[3-(6-tert-butylpyrimidin-4-yl)oxyazetidin-1-yl]ethanone?
The IUPAC name of 6-tert-butyl-2-(4-tert-butylpiperazin-1-yl)-N-(oxetan-3-yl)pyrimidin-4-amine;6-tert-butyl-2-(4-ethylpiperazin-1-yl)-N-(oxetan-3-yl)pyrimidin-4-amine;6-tert-butyl-N-(oxetan-3-yl)-2-(4-propan-2-ylpiperazin-1-yl)pyrimidin-4-amine;[4-[(4-tert-butyl-2-pyridinyl)amino]piperidin-1-yl]-cyclopropylmethanone;1-[4-[(4-tert-butyl-2-pyridinyl)amino]piperidin-1-yl]-2,2-dimethylpropan-1-one;1-[3-(6-tert-butylpyrimidin-4-yl)oxyazetidin-1-yl]ethanone (CID 162017612) is 6-tert-butyl-2-(4-tert-butylpiperazin-1-yl)-N-(oxetan-3-yl)pyrimidin-4-amine;6-tert-butyl-2-(4-ethylpiperazin-1-yl)-N-(oxetan-3-yl)pyrimidin-4-amine;6-tert-butyl-N-(oxetan-3-yl)-2-(4-propan-2-ylpiperazin-1-yl)pyrimidin-4-amine;[4-[(4-tert-butyl-2-pyridinyl)amino]piperidin-1-yl]-cyclopropylmethanone;1-[4-[(4-tert-butyl-2-pyridinyl)amino]piperidin-1-yl]-2,2-dimethylpropan-1-one;1-[3-(6-tert-butylpyrimidin-4-yl)oxyazetidin-1-yl]ethanone.
What is the SMILES notation for 6-tert-butyl-2-(4-tert-butylpiperazin-1-yl)-N-(oxetan-3-yl)pyrimidin-4-amine;6-tert-butyl-2-(4-ethylpiperazin-1-yl)-N-(oxetan-3-yl)pyrimidin-4-amine;6-tert-butyl-N-(oxetan-3-yl)-2-(4-propan-2-ylpiperazin-1-yl)pyrimidin-4-amine;[4-[(4-tert-butyl-2-pyridinyl)amino]piperidin-1-yl]-cyclopropylmethanone;1-[4-[(4-tert-butyl-2-pyridinyl)amino]piperidin-1-yl]-2,2-dimethylpropan-1-one;1-[3-(6-tert-butylpyrimidin-4-yl)oxyazetidin-1-yl]ethanone?
The canonical SMILES for 6-tert-butyl-2-(4-tert-butylpiperazin-1-yl)-N-(oxetan-3-yl)pyrimidin-4-amine;6-tert-butyl-2-(4-ethylpiperazin-1-yl)-N-(oxetan-3-yl)pyrimidin-4-amine;6-tert-butyl-N-(oxetan-3-yl)-2-(4-propan-2-ylpiperazin-1-yl)pyrimidin-4-amine;[4-[(4-tert-butyl-2-pyridinyl)amino]piperidin-1-yl]-cyclopropylmethanone;1-[4-[(4-tert-butyl-2-pyridinyl)amino]piperidin-1-yl]-2,2-dimethylpropan-1-one;1-[3-(6-tert-butylpyrimidin-4-yl)oxyazetidin-1-yl]ethanone is CC(=O)N1CC(Oc2cc(C(C)(C)C)ncn2)C1.CC(C)(C)C(=O)N1CCC(Nc2cc(C(C)(C)C)ccn2)CC1.CC(C)(C)c1cc(NC2COC2)nc(N2CCN(C(C)(C)C)CC2)n1.CC(C)(C)c1ccnc(NC2CCN(C(=O)C3CC3)CC2)c1.CC(C)N1CCN(c2nc(NC3COC3)cc(C(C)(C)C)n2)CC1.CCN1CCN(c2nc(NC3COC3)cc(C(C)(C)C)n2)CC1.
What is the InChIKey of 6-tert-butyl-2-(4-tert-butylpiperazin-1-yl)-N-(oxetan-3-yl)pyrimidin-4-amine;6-tert-butyl-2-(4-ethylpiperazin-1-yl)-N-(oxetan-3-yl)pyrimidin-4-amine;6-tert-butyl-N-(oxetan-3-yl)-2-(4-propan-2-ylpiperazin-1-yl)pyrimidin-4-amine;[4-[(4-tert-butyl-2-pyridinyl)amino]piperidin-1-yl]-cyclopropylmethanone;1-[4-[(4-tert-butyl-2-pyridinyl)amino]piperidin-1-yl]-2,2-dimethylpropan-1-one;1-[3-(6-tert-butylpyrimidin-4-yl)oxyazetidin-1-yl]ethanone?
The InChIKey is YUHZFORJMVSQOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N5O.C19H31N3O.C18H31N5O.C18H27N3O.C17H29N5O.C13H19N3O2/c1-18(2,3)15-11-16(20-14-12-25-13-14)22-17(21-15)23-7-9-24(10-8-23)19(4,5)6;1-18(2,3)14-7-10-20-16(13-14)21-15-8-11-22(12-9-15)17(23)19(4,5)6;1-13(2)22-6-8-23(9-7-22)17-20-15(18(3,4)5)10-16(21-17)19-14-11-24-12-14;1-18(2,3)14-6-9-19-16(12-14)20-15-7-10-21(11-8-15)17(22)13-4-5-13;1-5-21-6-8-22(9-7-21)16-19-14(17(2,3)4)10-15(20-16)18-13-11-23-12-13;1-9(17)16-6-10(7-16)18-12-5-11(13(2,3)4)14-8-15-12/h11,14H,7-10,12-13H2,1-6H3,(H,20,21,22);7,10,13,15H,8-9,11-12H2,1-6H3,(H,20,21);10,13-14H,6-9,11-12H2,1-5H3,(H,19,20,21);6,9,12-13,15H,4-5,7-8,10-11H2,1-3H3,(H,19,20);10,13H,5-9,11-12H2,1-4H3,(H,18,19,20);5,8,10H,6-7H2,1-4H3.
What are the key properties of 6-tert-butyl-2-(4-tert-butylpiperazin-1-yl)-N-(oxetan-3-yl)pyrimidin-4-amine;6-tert-butyl-2-(4-ethylpiperazin-1-yl)-N-(oxetan-3-yl)pyrimidin-4-amine;6-tert-butyl-N-(oxetan-3-yl)-2-(4-propan-2-ylpiperazin-1-yl)pyrimidin-4-amine;[4-[(4-tert-butyl-2-pyridinyl)amino]piperidin-1-yl]-cyclopropylmethanone;1-[4-[(4-tert-butyl-2-pyridinyl)amino]piperidin-1-yl]-2,2-dimethylpropan-1-one;1-[3-(6-tert-butylpyrimidin-4-yl)oxyazetidin-1-yl]ethanone?
6-tert-butyl-2-(4-tert-butylpiperazin-1-yl)-N-(oxetan-3-yl)pyrimidin-4-amine;6-tert-butyl-2-(4-ethylpiperazin-1-yl)-N-(oxetan-3-yl)pyrimidin-4-amine;6-tert-butyl-N-(oxetan-3-yl)-2-(4-propan-2-ylpiperazin-1-yl)pyrimidin-4-amine;[4-[(4-tert-butyl-2-pyridinyl)amino]piperidin-1-yl]-cyclopropylmethanone;1-[4-[(4-tert-butyl-2-pyridinyl)amino]piperidin-1-yl]-2,2-dimethylpropan-1-one;1-[3-(6-tert-butylpyrimidin-4-yl)oxyazetidin-1-yl]ethanone has a molecular weight of 1868.66 g/mol, XLogP of 14.75, 18 rotatable bonds, 5 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-2-(4-tert-butylpiperazin-1-yl)-N-(oxetan-3-yl)pyrimidin-4-amine;6-tert-butyl-2-(4-ethylpiperazin-1-yl)-N-(oxetan-3-yl)pyrimidin-4-amine;6-tert-butyl-N-(oxetan-3-yl)-2-(4-propan-2-ylpiperazin-1-yl)pyrimidin-4-amine;[4-[(4-tert-butyl-2-pyridinyl)amino]piperidin-1-yl]-cyclopropylmethanone;1-[4-[(4-tert-butyl-2-pyridinyl)amino]piperidin-1-yl]-2,2-dimethylpropan-1-one;1-[3-(6-tert-butylpyrimidin-4-yl)oxyazetidin-1-yl]ethanone is sourced from PubChem (CID 162017612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).