2-methyl-6-(3-methylpiperidin-1-yl)-N-(4-phenoxyphenyl)pyrimidin-4-amine

C23H26N4O — CID 112876602

IUPAC2-methyl-6-(3-methylpiperidin-1-yl)-N-(4-phenoxyphenyl)pyrimidin-4-amine
SMILESCc1nc(Nc2ccc(Oc3ccccc3)cc2)cc(N2CCCC(C)C2)n1
InChIInChI=1S/C23H26N4O/c1-17-7-6-14-27(16-17)23-15-22(24-18(2)25-23)26-19-10-12-21(13-11-19)28-20-8-4-3-5-9-20/h3-5,8-13,15,17H,6-7,14,16H2,1-2H3,(H,24,25,26)
InChIKeyWBINQPZRKBQOFT-UHFFFAOYSA-N
MW374.49 g/mol
LogP5.56
Rot. Bonds5

About 2-methyl-6-(3-methylpiperidin-1-yl)-N-(4-phenoxyphenyl)pyrimidin-4-amine

2-methyl-6-(3-methylpiperidin-1-yl)-N-(4-phenoxyphenyl)pyrimidin-4-amine (PubChem CID 112876602) has the molecular formula C23H26N4O and a molecular weight of 374.49 g/mol. Its IUPAC name is 2-methyl-6-(3-methylpiperidin-1-yl)-N-(4-phenoxyphenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-methyl-6-(3-methylpiperidin-1-yl)-N-(4-phenoxyphenyl)pyrimidin-4-amine
PubChem CID112876602
Molecular FormulaC23H26N4O
Molecular Weight374.49 g/mol
Exact Mass374.21
IUPAC Name2-methyl-6-(3-methylpiperidin-1-yl)-N-(4-phenoxyphenyl)pyrimidin-4-amine
SMILESCc1nc(Nc2ccc(Oc3ccccc3)cc2)cc(N2CCCC(C)C2)n1
InChIInChI=1S/C23H26N4O/c1-17-7-6-14-27(16-17)23-15-22(24-18(2)25-23)26-19-10-12-21(13-11-19)28-20-8-4-3-5-9-20/h3-5,8-13,15,17H,6-7,14,16H2,1-2H3,(H,24,25,26)
InChIKeyWBINQPZRKBQOFT-UHFFFAOYSA-N
XLogP5.56
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.49
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-(3-methylphenyl)-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112876539
N-(3,4-difluorophenyl)-2-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112876634
N-(2-methoxyphenyl)-2-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112876573
N-(2-bromophenyl)-2-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112876605
N-benzyl-2-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112871546
4-methyl-6-(3-methylpiperidin-1-yl)-N-phenylpyrimidin-2-amine
CID 112926053
N,2-dimethyl-6-[(3R)-3-methylpiperidin-1-yl]pyrimidin-4-amine
CID 129372098
N-(4-methoxyphenyl)-2-methyl-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 112868530
(3R)-1-[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]piperidine-3-carboxylic acid
CID 99975862
2-methyl-6-(4-methylpiperidin-1-yl)-N-(2-phenoxyphenyl)pyrimidin-4-amine
CID 112869302
(3S)-1-[6-(3-methoxyanilino)-2-methylpyrimidin-4-yl]piperidine-3-carboxylic acid
CID 99975943
4-(3-methylpiperidin-1-yl)-N,6-diphenylpyrimidin-2-amine
CID 112938025

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(3-methylpiperidin-1-yl)-N-(4-phenoxyphenyl)pyrimidin-4-amine?
The IUPAC name of 2-methyl-6-(3-methylpiperidin-1-yl)-N-(4-phenoxyphenyl)pyrimidin-4-amine (CID 112876602) is 2-methyl-6-(3-methylpiperidin-1-yl)-N-(4-phenoxyphenyl)pyrimidin-4-amine.
What is the SMILES notation for 2-methyl-6-(3-methylpiperidin-1-yl)-N-(4-phenoxyphenyl)pyrimidin-4-amine?
The canonical SMILES for 2-methyl-6-(3-methylpiperidin-1-yl)-N-(4-phenoxyphenyl)pyrimidin-4-amine is Cc1nc(Nc2ccc(Oc3ccccc3)cc2)cc(N2CCCC(C)C2)n1.
What is the InChIKey of 2-methyl-6-(3-methylpiperidin-1-yl)-N-(4-phenoxyphenyl)pyrimidin-4-amine?
The InChIKey is WBINQPZRKBQOFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O/c1-17-7-6-14-27(16-17)23-15-22(24-18(2)25-23)26-19-10-12-21(13-11-19)28-20-8-4-3-5-9-20/h3-5,8-13,15,17H,6-7,14,16H2,1-2H3,(H,24,25,26).
What are the key properties of 2-methyl-6-(3-methylpiperidin-1-yl)-N-(4-phenoxyphenyl)pyrimidin-4-amine?
2-methyl-6-(3-methylpiperidin-1-yl)-N-(4-phenoxyphenyl)pyrimidin-4-amine has a molecular weight of 374.49 g/mol, XLogP of 5.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(3-methylpiperidin-1-yl)-N-(4-phenoxyphenyl)pyrimidin-4-amine is sourced from PubChem (CID 112876602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).