N-butan-2-yl-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidin-4-amine

C20H29N5 — CID 112883531

IUPACN-butan-2-yl-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidin-4-amine
SMILESCCC(C)Nc1ccnc(N2CCN(c3cccc(C)c3C)CC2)n1
InChIInChI=1S/C20H29N5/c1-5-16(3)22-19-9-10-21-20(23-19)25-13-11-24(12-14-25)18-8-6-7-15(2)17(18)4/h6-10,16H,5,11-14H2,1-4H3,(H,21,22,23)
InChIKeyDGATZBLXDHOTSG-UHFFFAOYSA-N
MW339.49 g/mol
LogP3.63
Rot. Bonds5

About N-butan-2-yl-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidin-4-amine

N-butan-2-yl-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidin-4-amine (PubChem CID 112883531) has the molecular formula C20H29N5 and a molecular weight of 339.49 g/mol. Its IUPAC name is N-butan-2-yl-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-butan-2-yl-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidin-4-amine
PubChem CID112883531
Molecular FormulaC20H29N5
Molecular Weight339.49 g/mol
Exact Mass339.24
IUPAC NameN-butan-2-yl-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidin-4-amine
SMILESCCC(C)Nc1ccnc(N2CCN(c3cccc(C)c3C)CC2)n1
InChIInChI=1S/C20H29N5/c1-5-16(3)22-19-9-10-21-20(23-19)25-13-11-24(12-14-25)18-8-6-7-15(2)17(18)4/h6-10,16H,5,11-14H2,1-4H3,(H,21,22,23)
InChIKeyDGATZBLXDHOTSG-UHFFFAOYSA-N
XLogP3.63
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.49
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-butan-2-yl-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidine-4-carboxamide
CID 109297333
[2-(butan-2-ylamino)-4-pyridinyl]-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
CID 109165914
N-(4-chlorophenyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidin-4-amine
CID 112898350
N-(3-chlorophenyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidin-4-amine
CID 112898349
[2-(butan-2-ylamino)pyrimidin-5-yl]-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
CID 109249071
2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-4-piperazin-1-ylpyrimidine
CID 123348246
N-butan-2-yl-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112883550
N-butan-2-yl-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-methylpyrimidine-4-carboxamide
CID 109321427
N-butan-2-yl-3-(4-pyrimidin-2-ylpiperazin-1-yl)-1,2,4-triazin-5-amine
CID 112940719
2-[4-(3-methylphenyl)piperazin-1-yl]-N-propan-2-ylpyrimidin-4-amine
CID 112882024
3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(1-phenylethyl)-1,2,4-triazin-5-amine
CID 112948909
2-(4-phenylpiperazin-1-yl)-N-propan-2-ylpyrimidin-4-amine
CID 112882012

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidin-4-amine?
The IUPAC name of N-butan-2-yl-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidin-4-amine (CID 112883531) is N-butan-2-yl-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidin-4-amine.
What is the SMILES notation for N-butan-2-yl-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidin-4-amine?
The canonical SMILES for N-butan-2-yl-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidin-4-amine is CCC(C)Nc1ccnc(N2CCN(c3cccc(C)c3C)CC2)n1.
What is the InChIKey of N-butan-2-yl-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidin-4-amine?
The InChIKey is DGATZBLXDHOTSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5/c1-5-16(3)22-19-9-10-21-20(23-19)25-13-11-24(12-14-25)18-8-6-7-15(2)17(18)4/h6-10,16H,5,11-14H2,1-4H3,(H,21,22,23).
What are the key properties of N-butan-2-yl-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidin-4-amine?
N-butan-2-yl-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidin-4-amine has a molecular weight of 339.49 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidin-4-amine is sourced from PubChem (CID 112883531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).