N-benzyl-4-methyl-6-(4-methylpiperazin-4-ium-1-yl)pyrimidin-2-amine

C17H24N5+ — CID 7390893

IUPACN-benzyl-4-methyl-6-(4-methylpiperazin-4-ium-1-yl)pyrimidin-2-amine
SMILESCc1cc(N2CC[NH+](C)CC2)nc(NCc2ccccc2)n1
InChIInChI=1S/C17H23N5/c1-14-12-16(22-10-8-21(2)9-11-22)20-17(19-14)18-13-15-6-4-3-5-7-15/h3-7,12H,8-11,13H2,1-2H3,(H,18,19,20)/p+1
InChIKeyLPHVQPDNECOSGZ-UHFFFAOYSA-O
MW298.41 g/mol
LogP0.73
Rot. Bonds4

About N-benzyl-4-methyl-6-(4-methylpiperazin-4-ium-1-yl)pyrimidin-2-amine

N-benzyl-4-methyl-6-(4-methylpiperazin-4-ium-1-yl)pyrimidin-2-amine (PubChem CID 7390893) has the molecular formula C17H24N5+ and a molecular weight of 298.41 g/mol. Its IUPAC name is N-benzyl-4-methyl-6-(4-methylpiperazin-4-ium-1-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-benzyl-4-methyl-6-(4-methylpiperazin-4-ium-1-yl)pyrimidin-2-amine
PubChem CID7390893
Molecular FormulaC17H24N5+
Molecular Weight298.41 g/mol
Exact Mass298.20
IUPAC NameN-benzyl-4-methyl-6-(4-methylpiperazin-4-ium-1-yl)pyrimidin-2-amine
SMILESCc1cc(N2CC[NH+](C)CC2)nc(NCc2ccccc2)n1
InChIInChI=1S/C17H23N5/c1-14-12-16(22-10-8-21(2)9-11-22)20-17(19-14)18-13-15-6-4-3-5-7-15/h3-7,12H,8-11,13H2,1-2H3,(H,18,19,20)/p+1
InChIKeyLPHVQPDNECOSGZ-UHFFFAOYSA-O
XLogP0.73
TPSA45.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-benzyl-4-methyl-6-(4-methylpiperazin-4-ium-1-yl)pyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-benzyl-4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-methylpyrimidin-2-amine
CID 112915664
4-methyl-N-[(4-methylphenyl)methyl]-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 112913782
N-[(4-chlorophenyl)methyl]-4-methyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-2-amine
CID 112918088
4-methyl-N-[(3-methylphenyl)methyl]-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-2-amine
CID 112916237
N-[(4-fluorophenyl)methyl]-4-[4-(2-fluorophenyl)piperazin-1-yl]-6-methylpyrimidin-2-amine
CID 112917640
4-methyl-6-morpholin-4-yl-N-(pyridin-4-ylmethyl)pyrimidin-2-amine
CID 112912080
4-methyl-6-(4-phenylpiperazin-1-yl)-N-(3-phenylpropyl)pyrimidin-2-amine
CID 112922173
4-(4-benzylpiperazin-1-yl)-6-methyl-N-(2-methylpropyl)pyrimidin-2-amine
CID 112908701
N-[(4-fluorophenyl)methyl]-4-methyl-6-(4-methylpiperidin-1-yl)pyrimidin-2-amine
CID 112910693
1-[6-methyl-2-(pyridin-4-ylmethylamino)pyrimidin-4-yl]piperidine-4-carboxylic acid
CID 113194114
1-[4-[2-(ethylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-2-phenylethanone
CID 56699104
N-[(4-methylphenyl)methyl]-4-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-2-amine
CID 112936254

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-methyl-6-(4-methylpiperazin-4-ium-1-yl)pyrimidin-2-amine?
The IUPAC name of N-benzyl-4-methyl-6-(4-methylpiperazin-4-ium-1-yl)pyrimidin-2-amine (CID 7390893) is N-benzyl-4-methyl-6-(4-methylpiperazin-4-ium-1-yl)pyrimidin-2-amine.
What is the SMILES notation for N-benzyl-4-methyl-6-(4-methylpiperazin-4-ium-1-yl)pyrimidin-2-amine?
The canonical SMILES for N-benzyl-4-methyl-6-(4-methylpiperazin-4-ium-1-yl)pyrimidin-2-amine is Cc1cc(N2CC[NH+](C)CC2)nc(NCc2ccccc2)n1.
What is the InChIKey of N-benzyl-4-methyl-6-(4-methylpiperazin-4-ium-1-yl)pyrimidin-2-amine?
The InChIKey is LPHVQPDNECOSGZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H23N5/c1-14-12-16(22-10-8-21(2)9-11-22)20-17(19-14)18-13-15-6-4-3-5-7-15/h3-7,12H,8-11,13H2,1-2H3,(H,18,19,20)/p+1.
What are the key properties of N-benzyl-4-methyl-6-(4-methylpiperazin-4-ium-1-yl)pyrimidin-2-amine?
N-benzyl-4-methyl-6-(4-methylpiperazin-4-ium-1-yl)pyrimidin-2-amine has a molecular weight of 298.41 g/mol, XLogP of 0.73, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-methyl-6-(4-methylpiperazin-4-ium-1-yl)pyrimidin-2-amine is sourced from PubChem (CID 7390893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).