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

C13H23N5 — CID 80825091

IUPACN-methyl-6-[4-(2-methylpropyl)piperazin-1-yl]pyrimidin-4-amine
SMILESCNc1cc(N2CCN(CC(C)C)CC2)ncn1
InChIInChI=1S/C13H23N5/c1-11(2)9-17-4-6-18(7-5-17)13-8-12(14-3)15-10-16-13/h8,10-11H,4-7,9H2,1-3H3,(H,14,15,16)
InChIKeyRKBXBXQRWYRDJP-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.30
Rot. Bonds4

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

N-methyl-6-[4-(2-methylpropyl)piperazin-1-yl]pyrimidin-4-amine (PubChem CID 80825091) has the molecular formula C13H23N5 and a molecular weight of 249.36 g/mol. Its IUPAC name is N-methyl-6-[4-(2-methylpropyl)piperazin-1-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-6-[4-(2-methylpropyl)piperazin-1-yl]pyrimidin-4-amine
PubChem CID80825091
Molecular FormulaC13H23N5
Molecular Weight249.36 g/mol
Exact Mass249.20
IUPAC NameN-methyl-6-[4-(2-methylpropyl)piperazin-1-yl]pyrimidin-4-amine
SMILESCNc1cc(N2CCN(CC(C)C)CC2)ncn1
InChIInChI=1S/C13H23N5/c1-11(2)9-17-4-6-18(7-5-17)13-8-12(14-3)15-10-16-13/h8,10-11H,4-7,9H2,1-3H3,(H,14,15,16)
InChIKeyRKBXBXQRWYRDJP-UHFFFAOYSA-N
XLogP1.30
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-fluoro-6-[4-(2-methylpropyl)piperazin-1-yl]pyrimidine
CID 115416914
N-methyl-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 80754206
6-(4,4-dimethylpiperidin-1-yl)-N-methylpyrimidin-4-amine
CID 80823841
[1-[6-(methylamino)pyrimidin-4-yl]piperidin-4-yl]methanol
CID 80755881
6-(4-methylpiperazin-1-yl)-N-(2-methylpropyl)pyrimidin-4-amine
CID 58940632
2-[4-(2-methylpropyl)piperazin-1-yl]pyridin-4-amine
CID 62776997
4-methyl-1-[6-(methylamino)pyrimidin-4-yl]piperidin-4-ol
CID 81109322
6-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-N-methylpyrimidin-4-amine
CID 138022474
N-methyl-6-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]pyrimidin-4-amine
CID 122281848
6-(3,4-dimethylpyrrolidin-1-yl)-N-methylpyrimidin-4-amine
CID 80848167
N-(1-morpholin-4-ylpropan-2-yl)-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 133291179
1-(5-bromo-4-methyl-2-pyridinyl)-4-(2-methylpropyl)piperazine
CID 115773841

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-[4-(2-methylpropyl)piperazin-1-yl]pyrimidin-4-amine?
The IUPAC name of N-methyl-6-[4-(2-methylpropyl)piperazin-1-yl]pyrimidin-4-amine (CID 80825091) is N-methyl-6-[4-(2-methylpropyl)piperazin-1-yl]pyrimidin-4-amine.
What is the SMILES notation for N-methyl-6-[4-(2-methylpropyl)piperazin-1-yl]pyrimidin-4-amine?
The canonical SMILES for N-methyl-6-[4-(2-methylpropyl)piperazin-1-yl]pyrimidin-4-amine is CNc1cc(N2CCN(CC(C)C)CC2)ncn1.
What is the InChIKey of N-methyl-6-[4-(2-methylpropyl)piperazin-1-yl]pyrimidin-4-amine?
The InChIKey is RKBXBXQRWYRDJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5/c1-11(2)9-17-4-6-18(7-5-17)13-8-12(14-3)15-10-16-13/h8,10-11H,4-7,9H2,1-3H3,(H,14,15,16).
What are the key properties of N-methyl-6-[4-(2-methylpropyl)piperazin-1-yl]pyrimidin-4-amine?
N-methyl-6-[4-(2-methylpropyl)piperazin-1-yl]pyrimidin-4-amine has a molecular weight of 249.36 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-[4-(2-methylpropyl)piperazin-1-yl]pyrimidin-4-amine is sourced from PubChem (CID 80825091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).