4-N-(2-methylphenyl)-6-(2-methylpiperidin-1-yl)pyrimidine-4,5-diamine

C17H23N5 — CID 19140137

IUPAC4-N-(2-methylphenyl)-6-(2-methylpiperidin-1-yl)pyrimidine-4,5-diamine
SMILESCc1ccccc1Nc1ncnc(N2CCCCC2C)c1N
InChIInChI=1S/C17H23N5/c1-12-7-3-4-9-14(12)21-16-15(18)17(20-11-19-16)22-10-6-5-8-13(22)2/h3-4,7,9,11,13H,5-6,8,10,18H2,1-2H3,(H,19,20,21)
InChIKeyPNHSBAJMNIVBOE-UHFFFAOYSA-N
MW297.41 g/mol
LogP3.49
Rot. Bonds3

About 4-N-(2-methylphenyl)-6-(2-methylpiperidin-1-yl)pyrimidine-4,5-diamine

4-N-(2-methylphenyl)-6-(2-methylpiperidin-1-yl)pyrimidine-4,5-diamine (PubChem CID 19140137) has the molecular formula C17H23N5 and a molecular weight of 297.41 g/mol. Its IUPAC name is 4-N-(2-methylphenyl)-6-(2-methylpiperidin-1-yl)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-N-(2-methylphenyl)-6-(2-methylpiperidin-1-yl)pyrimidine-4,5-diamine
PubChem CID19140137
Molecular FormulaC17H23N5
Molecular Weight297.41 g/mol
Exact Mass297.20
IUPAC Name4-N-(2-methylphenyl)-6-(2-methylpiperidin-1-yl)pyrimidine-4,5-diamine
SMILESCc1ccccc1Nc1ncnc(N2CCCCC2C)c1N
InChIInChI=1S/C17H23N5/c1-12-7-3-4-9-14(12)21-16-15(18)17(20-11-19-16)22-10-6-5-8-13(22)2/h3-4,7,9,11,13H,5-6,8,10,18H2,1-2H3,(H,19,20,21)
InChIKeyPNHSBAJMNIVBOE-UHFFFAOYSA-N
XLogP3.49
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.41
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-[2-chloro-5-(trifluoromethyl)phenyl]-6-(2-methylpiperidin-1-yl)pyrimidine-4,5-diamine
CID 22541163
4-N-(furan-2-ylmethyl)-6-(2-methylpiperidin-1-yl)pyrimidine-4,5-diamine
CID 19140123
ethyl 1-[5-amino-6-(2-methylanilino)pyrimidin-4-yl]piperidine-3-carboxylate
CID 19142243
N'-[5-amino-6-(2-methylpiperidin-1-yl)pyrimidin-4-yl]-2-bromobenzohydrazide
CID 19140174
4-(2-methylpiperidin-1-yl)-6-phenylsulfanylpyrimidin-5-amine
CID 19140155
6-[4-(2-fluorophenyl)piperazin-1-yl]-4-N-(2-methylphenyl)pyrimidine-4,5-diamine
CID 19147854
6-[4-(4-fluorophenyl)piperazin-1-yl]-4-N-(2-methylphenyl)pyrimidine-4,5-diamine
CID 19147855
6-(2-ethylpiperidin-1-yl)-N-(2-methylphenyl)-5-nitropyrimidin-4-amine
CID 23492456
N-(2-bromophenyl)-6-(2-methylpiperidin-1-yl)-5-nitropyrimidin-4-amine
CID 23492107
6-(2-methylpiperidin-1-yl)-4-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidine-4,5-diamine
CID 19140121
4-(2-methoxyphenoxy)-6-(2-methylpiperidin-1-yl)pyrimidin-5-amine
CID 19140241
4-N-(3,4-dimethylphenyl)-6-(2-ethylpiperidin-1-yl)pyrimidine-4,5-diamine
CID 22546179

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-methylphenyl)-6-(2-methylpiperidin-1-yl)pyrimidine-4,5-diamine?
The IUPAC name of 4-N-(2-methylphenyl)-6-(2-methylpiperidin-1-yl)pyrimidine-4,5-diamine (CID 19140137) is 4-N-(2-methylphenyl)-6-(2-methylpiperidin-1-yl)pyrimidine-4,5-diamine.
What is the SMILES notation for 4-N-(2-methylphenyl)-6-(2-methylpiperidin-1-yl)pyrimidine-4,5-diamine?
The canonical SMILES for 4-N-(2-methylphenyl)-6-(2-methylpiperidin-1-yl)pyrimidine-4,5-diamine is Cc1ccccc1Nc1ncnc(N2CCCCC2C)c1N.
What is the InChIKey of 4-N-(2-methylphenyl)-6-(2-methylpiperidin-1-yl)pyrimidine-4,5-diamine?
The InChIKey is PNHSBAJMNIVBOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5/c1-12-7-3-4-9-14(12)21-16-15(18)17(20-11-19-16)22-10-6-5-8-13(22)2/h3-4,7,9,11,13H,5-6,8,10,18H2,1-2H3,(H,19,20,21).
What are the key properties of 4-N-(2-methylphenyl)-6-(2-methylpiperidin-1-yl)pyrimidine-4,5-diamine?
4-N-(2-methylphenyl)-6-(2-methylpiperidin-1-yl)pyrimidine-4,5-diamine has a molecular weight of 297.41 g/mol, XLogP of 3.49, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-methylphenyl)-6-(2-methylpiperidin-1-yl)pyrimidine-4,5-diamine is sourced from PubChem (CID 19140137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).