4-(3-methylpiperidin-1-yl)-N,6-diphenylpyrimidin-2-amine

C22H24N4 — CID 112938025

IUPAC4-(3-methylpiperidin-1-yl)-N,6-diphenylpyrimidin-2-amine
SMILESCC1CCCN(c2cc(-c3ccccc3)nc(Nc3ccccc3)n2)C1
InChIInChI=1S/C22H24N4/c1-17-9-8-14-26(16-17)21-15-20(18-10-4-2-5-11-18)24-22(25-21)23-19-12-6-3-7-13-19/h2-7,10-13,15,17H,8-9,14,16H2,1H3,(H,23,24,25)
InChIKeyRKYWCOFTCJXBQZ-UHFFFAOYSA-N
MW344.46 g/mol
LogP5.12
Rot. Bonds4

About 4-(3-methylpiperidin-1-yl)-N,6-diphenylpyrimidin-2-amine

4-(3-methylpiperidin-1-yl)-N,6-diphenylpyrimidin-2-amine (PubChem CID 112938025) has the molecular formula C22H24N4 and a molecular weight of 344.46 g/mol. Its IUPAC name is 4-(3-methylpiperidin-1-yl)-N,6-diphenylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(3-methylpiperidin-1-yl)-N,6-diphenylpyrimidin-2-amine
PubChem CID112938025
Molecular FormulaC22H24N4
Molecular Weight344.46 g/mol
Exact Mass344.20
IUPAC Name4-(3-methylpiperidin-1-yl)-N,6-diphenylpyrimidin-2-amine
SMILESCC1CCCN(c2cc(-c3ccccc3)nc(Nc3ccccc3)n2)C1
InChIInChI=1S/C22H24N4/c1-17-9-8-14-26(16-17)21-15-20(18-10-4-2-5-11-18)24-22(25-21)23-19-12-6-3-7-13-19/h2-7,10-13,15,17H,8-9,14,16H2,1H3,(H,23,24,25)
InChIKeyRKYWCOFTCJXBQZ-UHFFFAOYSA-N
XLogP5.12
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.46
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methoxyphenyl)-4-(3-methylpiperidin-1-yl)-6-phenylpyrimidin-2-amine
CID 112938030
1-[4-[[4-(3-methylpiperidin-1-yl)-6-phenylpyrimidin-2-yl]amino]phenyl]ethanone
CID 112938033
4-methyl-6-(3-methylpiperidin-1-yl)-N-phenylpyrimidin-2-amine
CID 112926053
N',N'-dimethyl-N-[4-(3-methylpiperidin-1-yl)-6-phenylpyrimidin-2-yl]ethane-1,2-diamine
CID 112935945
4-(3-methylpiperidin-1-yl)-6-phenyl-N-(pyridin-2-ylmethyl)pyrimidin-2-amine
CID 112937177
4-phenyl-N-(4-propan-2-yloxyphenyl)-6-pyrrolidin-1-ylpyrimidin-2-amine
CID 112934172
N-(4-ethylphenyl)-4-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-2-amine
CID 112926067
N-[3-[[4-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-2-yl]amino]phenyl]acetamide
CID 112926107
2-methyl-6-(3-methylpiperidin-1-yl)-N-(4-phenoxyphenyl)pyrimidin-4-amine
CID 112876602
methyl 3-[(4-phenyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]benzoate
CID 112934184
N-(4-methoxyphenyl)-4-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-2-amine
CID 112936317
1-[4-[[4-(4-hydroxypiperidin-1-yl)-6-phenylpyrimidin-2-yl]amino]phenyl]ethanone;hydrochloride
CID 11517478

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylpiperidin-1-yl)-N,6-diphenylpyrimidin-2-amine?
The IUPAC name of 4-(3-methylpiperidin-1-yl)-N,6-diphenylpyrimidin-2-amine (CID 112938025) is 4-(3-methylpiperidin-1-yl)-N,6-diphenylpyrimidin-2-amine.
What is the SMILES notation for 4-(3-methylpiperidin-1-yl)-N,6-diphenylpyrimidin-2-amine?
The canonical SMILES for 4-(3-methylpiperidin-1-yl)-N,6-diphenylpyrimidin-2-amine is CC1CCCN(c2cc(-c3ccccc3)nc(Nc3ccccc3)n2)C1.
What is the InChIKey of 4-(3-methylpiperidin-1-yl)-N,6-diphenylpyrimidin-2-amine?
The InChIKey is RKYWCOFTCJXBQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4/c1-17-9-8-14-26(16-17)21-15-20(18-10-4-2-5-11-18)24-22(25-21)23-19-12-6-3-7-13-19/h2-7,10-13,15,17H,8-9,14,16H2,1H3,(H,23,24,25).
What are the key properties of 4-(3-methylpiperidin-1-yl)-N,6-diphenylpyrimidin-2-amine?
4-(3-methylpiperidin-1-yl)-N,6-diphenylpyrimidin-2-amine has a molecular weight of 344.46 g/mol, XLogP of 5.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylpiperidin-1-yl)-N,6-diphenylpyrimidin-2-amine is sourced from PubChem (CID 112938025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).