N-methyl-2-(4-methylpiperazin-1-yl)-6-propylpyrimidin-4-amine

C13H23N5 — CID 62190556

IUPACN-methyl-2-(4-methylpiperazin-1-yl)-6-propylpyrimidin-4-amine
SMILESCCCc1cc(NC)nc(N2CCN(C)CC2)n1
InChIInChI=1S/C13H23N5/c1-4-5-11-10-12(14-2)16-13(15-11)18-8-6-17(3)7-9-18/h10H,4-9H2,1-3H3,(H,14,15,16)
InChIKeyCAUIYTKDYQOQCF-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.22
Rot. Bonds4

About N-methyl-2-(4-methylpiperazin-1-yl)-6-propylpyrimidin-4-amine

N-methyl-2-(4-methylpiperazin-1-yl)-6-propylpyrimidin-4-amine (PubChem CID 62190556) has the molecular formula C13H23N5 and a molecular weight of 249.36 g/mol. Its IUPAC name is N-methyl-2-(4-methylpiperazin-1-yl)-6-propylpyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-2-(4-methylpiperazin-1-yl)-6-propylpyrimidin-4-amine
PubChem CID62190556
Molecular FormulaC13H23N5
Molecular Weight249.36 g/mol
Exact Mass249.20
IUPAC NameN-methyl-2-(4-methylpiperazin-1-yl)-6-propylpyrimidin-4-amine
SMILESCCCc1cc(NC)nc(N2CCN(C)CC2)n1
InChIInChI=1S/C13H23N5/c1-4-5-11-10-12(14-2)16-13(15-11)18-8-6-17(3)7-9-18/h10H,4-9H2,1-3H3,(H,14,15,16)
InChIKeyCAUIYTKDYQOQCF-UHFFFAOYSA-N
XLogP1.22
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 ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(4-methylpiperazin-1-yl)-6-propylpyrimidin-4-amine?
The IUPAC name of N-methyl-2-(4-methylpiperazin-1-yl)-6-propylpyrimidin-4-amine (CID 62190556) is N-methyl-2-(4-methylpiperazin-1-yl)-6-propylpyrimidin-4-amine.
What is the SMILES notation for N-methyl-2-(4-methylpiperazin-1-yl)-6-propylpyrimidin-4-amine?
The canonical SMILES for N-methyl-2-(4-methylpiperazin-1-yl)-6-propylpyrimidin-4-amine is CCCc1cc(NC)nc(N2CCN(C)CC2)n1.
What is the InChIKey of N-methyl-2-(4-methylpiperazin-1-yl)-6-propylpyrimidin-4-amine?
The InChIKey is CAUIYTKDYQOQCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5/c1-4-5-11-10-12(14-2)16-13(15-11)18-8-6-17(3)7-9-18/h10H,4-9H2,1-3H3,(H,14,15,16).
What are the key properties of N-methyl-2-(4-methylpiperazin-1-yl)-6-propylpyrimidin-4-amine?
N-methyl-2-(4-methylpiperazin-1-yl)-6-propylpyrimidin-4-amine has a molecular weight of 249.36 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(4-methylpiperazin-1-yl)-6-propylpyrimidin-4-amine is sourced from PubChem (CID 62190556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).