4-methyl-N-[(4-methylphenyl)methyl]-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine

C18H25N5 — CID 112913782

IUPAC4-methyl-N-[(4-methylphenyl)methyl]-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
SMILESCc1ccc(CNc2nc(C)cc(N3CCN(C)CC3)n2)cc1
InChIInChI=1S/C18H25N5/c1-14-4-6-16(7-5-14)13-19-18-20-15(2)12-17(21-18)23-10-8-22(3)9-11-23/h4-7,12H,8-11,13H2,1-3H3,(H,19,20,21)
InChIKeyGNWLKBCYCBAJSL-UHFFFAOYSA-N
MW311.43 g/mol
LogP2.46
Rot. Bonds4

About 4-methyl-N-[(4-methylphenyl)methyl]-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine

4-methyl-N-[(4-methylphenyl)methyl]-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine (PubChem CID 112913782) has the molecular formula C18H25N5 and a molecular weight of 311.43 g/mol. Its IUPAC name is 4-methyl-N-[(4-methylphenyl)methyl]-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-methyl-N-[(4-methylphenyl)methyl]-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
PubChem CID112913782
Molecular FormulaC18H25N5
Molecular Weight311.43 g/mol
Exact Mass311.21
IUPAC Name4-methyl-N-[(4-methylphenyl)methyl]-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
SMILESCc1ccc(CNc2nc(C)cc(N3CCN(C)CC3)n2)cc1
InChIInChI=1S/C18H25N5/c1-14-4-6-16(7-5-14)13-19-18-20-15(2)12-17(21-18)23-10-8-22(3)9-11-23/h4-7,12H,8-11,13H2,1-3H3,(H,19,20,21)
InChIKeyGNWLKBCYCBAJSL-UHFFFAOYSA-N
XLogP2.46
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-methylphenyl)methyl]-4-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-2-amine
CID 112936254
N-[2-(4-fluorophenyl)ethyl]-4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 112913799
4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-6-methyl-N-[(4-methylphenyl)methyl]pyrimidin-2-amine
CID 167974129
4-methyl-N-[(4-methylphenyl)methyl]-6-(3-methylpiperidin-1-yl)pyrimidin-2-amine
CID 112916523
N'-cyclohexyl-N-[[4-[[[4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]amino]methyl]phenyl]methyl]propane-1,3-diamine
CID 15602877
N-benzyl-4-methyl-6-(4-methylpiperazin-4-ium-1-yl)pyrimidin-2-amine
CID 7390893
4-methyl-N-(3-methylbutyl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 112913833
N-[(4-chlorophenyl)methyl]-4-methyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-2-amine
CID 112918088
N-[(4-fluorophenyl)methyl]-4-methyl-6-(4-methylpiperidin-1-yl)pyrimidin-2-amine
CID 112910693
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-N-[(3-methylphenyl)methyl]-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-2-amine
CID 112916237

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(4-methylphenyl)methyl]-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine?
The IUPAC name of 4-methyl-N-[(4-methylphenyl)methyl]-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine (CID 112913782) is 4-methyl-N-[(4-methylphenyl)methyl]-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine.
What is the SMILES notation for 4-methyl-N-[(4-methylphenyl)methyl]-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine?
The canonical SMILES for 4-methyl-N-[(4-methylphenyl)methyl]-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine is Cc1ccc(CNc2nc(C)cc(N3CCN(C)CC3)n2)cc1.
What is the InChIKey of 4-methyl-N-[(4-methylphenyl)methyl]-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine?
The InChIKey is GNWLKBCYCBAJSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5/c1-14-4-6-16(7-5-14)13-19-18-20-15(2)12-17(21-18)23-10-8-22(3)9-11-23/h4-7,12H,8-11,13H2,1-3H3,(H,19,20,21).
What are the key properties of 4-methyl-N-[(4-methylphenyl)methyl]-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine?
4-methyl-N-[(4-methylphenyl)methyl]-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine has a molecular weight of 311.43 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(4-methylphenyl)methyl]-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine is sourced from PubChem (CID 112913782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).