2-methyl-6-[4-(2-methylpropyl)piperazin-1-yl]-N-propylpyrimidin-4-amine

C16H29N5 — CID 80803337

IUPAC2-methyl-6-[4-(2-methylpropyl)piperazin-1-yl]-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(N2CCN(CC(C)C)CC2)nc(C)n1
InChIInChI=1S/C16H29N5/c1-5-6-17-15-11-16(19-14(4)18-15)21-9-7-20(8-10-21)12-13(2)3/h11,13H,5-10,12H2,1-4H3,(H,17,18,19)
InChIKeyIUUDXYGYLVXGCG-UHFFFAOYSA-N
MW291.44 g/mol
LogP2.38
Rot. Bonds6

About 2-methyl-6-[4-(2-methylpropyl)piperazin-1-yl]-N-propylpyrimidin-4-amine

2-methyl-6-[4-(2-methylpropyl)piperazin-1-yl]-N-propylpyrimidin-4-amine (PubChem CID 80803337) has the molecular formula C16H29N5 and a molecular weight of 291.44 g/mol. Its IUPAC name is 2-methyl-6-[4-(2-methylpropyl)piperazin-1-yl]-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name2-methyl-6-[4-(2-methylpropyl)piperazin-1-yl]-N-propylpyrimidin-4-amine
PubChem CID80803337
Molecular FormulaC16H29N5
Molecular Weight291.44 g/mol
Exact Mass291.24
IUPAC Name2-methyl-6-[4-(2-methylpropyl)piperazin-1-yl]-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(N2CCN(CC(C)C)CC2)nc(C)n1
InChIInChI=1S/C16H29N5/c1-5-6-17-15-11-16(19-14(4)18-15)21-9-7-20(8-10-21)12-13(2)3/h11,13H,5-10,12H2,1-4H3,(H,17,18,19)
InChIKeyIUUDXYGYLVXGCG-UHFFFAOYSA-N
XLogP2.38
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-6-(4-methylpiperazin-1-yl)-N-propylpyrimidin-4-amine
CID 80766705
2-methyl-N-propyl-6-thiomorpholin-4-ylpyrimidin-4-amine
CID 80765301
1-[4-[2-methyl-6-(propylamino)pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 80767201
6-(4-ethylpiperazin-1-yl)-4-N-propylpyrimidine-2,4-diamine
CID 80762545
2-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]-N-propylpyrimidin-4-amine
CID 112867225
6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-methyl-N-propylpyrimidin-4-amine
CID 112867227
N-butyl-2-methyl-6-piperidin-1-ylpyrimidin-4-amine
CID 112867837
N-[6-(4-ethylpiperazin-1-yl)-2-methylpyrimidin-4-yl]-N',N'-dimethylpropane-1,3-diamine
CID 112870514
6-(azocan-1-yl)-2-propan-2-yl-N-propylpyrimidin-4-amine
CID 80955490
6-piperidin-1-yl-2-propan-2-yl-N-propylpyrimidin-4-amine
CID 80955496
6-(3,4-dimethoxypyrrolidin-1-yl)-2-methyl-N-propylpyrimidin-4-amine
CID 103541915
2-methyl-N-(3-methylbutyl)-6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidin-4-amine
CID 112875456

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[4-(2-methylpropyl)piperazin-1-yl]-N-propylpyrimidin-4-amine?
The IUPAC name of 2-methyl-6-[4-(2-methylpropyl)piperazin-1-yl]-N-propylpyrimidin-4-amine (CID 80803337) is 2-methyl-6-[4-(2-methylpropyl)piperazin-1-yl]-N-propylpyrimidin-4-amine.
What is the SMILES notation for 2-methyl-6-[4-(2-methylpropyl)piperazin-1-yl]-N-propylpyrimidin-4-amine?
The canonical SMILES for 2-methyl-6-[4-(2-methylpropyl)piperazin-1-yl]-N-propylpyrimidin-4-amine is CCCNc1cc(N2CCN(CC(C)C)CC2)nc(C)n1.
What is the InChIKey of 2-methyl-6-[4-(2-methylpropyl)piperazin-1-yl]-N-propylpyrimidin-4-amine?
The InChIKey is IUUDXYGYLVXGCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N5/c1-5-6-17-15-11-16(19-14(4)18-15)21-9-7-20(8-10-21)12-13(2)3/h11,13H,5-10,12H2,1-4H3,(H,17,18,19).
What are the key properties of 2-methyl-6-[4-(2-methylpropyl)piperazin-1-yl]-N-propylpyrimidin-4-amine?
2-methyl-6-[4-(2-methylpropyl)piperazin-1-yl]-N-propylpyrimidin-4-amine has a molecular weight of 291.44 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[4-(2-methylpropyl)piperazin-1-yl]-N-propylpyrimidin-4-amine is sourced from PubChem (CID 80803337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).