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

C23H26N4O — CID 112869302

IUPAC2-methyl-6-(4-methylpiperidin-1-yl)-N-(2-phenoxyphenyl)pyrimidin-4-amine
SMILESCc1nc(Nc2ccccc2Oc2ccccc2)cc(N2CCC(C)CC2)n1
InChIInChI=1S/C23H26N4O/c1-17-12-14-27(15-13-17)23-16-22(24-18(2)25-23)26-20-10-6-7-11-21(20)28-19-8-4-3-5-9-19/h3-11,16-17H,12-15H2,1-2H3,(H,24,25,26)
InChIKeyNWJJNYMKKJTVSK-UHFFFAOYSA-N
MW374.49 g/mol
LogP5.56
Rot. Bonds5

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

2-methyl-6-(4-methylpiperidin-1-yl)-N-(2-phenoxyphenyl)pyrimidin-4-amine (PubChem CID 112869302) has the molecular formula C23H26N4O and a molecular weight of 374.49 g/mol. Its IUPAC name is 2-methyl-6-(4-methylpiperidin-1-yl)-N-(2-phenoxyphenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-methyl-6-(4-methylpiperidin-1-yl)-N-(2-phenoxyphenyl)pyrimidin-4-amine
PubChem CID112869302
Molecular FormulaC23H26N4O
Molecular Weight374.49 g/mol
Exact Mass374.21
IUPAC Name2-methyl-6-(4-methylpiperidin-1-yl)-N-(2-phenoxyphenyl)pyrimidin-4-amine
SMILESCc1nc(Nc2ccccc2Oc2ccccc2)cc(N2CCC(C)CC2)n1
InChIInChI=1S/C23H26N4O/c1-17-12-14-27(15-13-17)23-16-22(24-18(2)25-23)26-20-10-6-7-11-21(20)28-19-8-4-3-5-9-19/h3-11,16-17H,12-15H2,1-2H3,(H,24,25,26)
InChIKeyNWJJNYMKKJTVSK-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-[[2-methyl-6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]amino]benzoic acid
CID 113194821
2-[[2-methyl-6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]amino]benzonitrile
CID 112869316
5-(4-methylpiperidin-1-yl)-N-(2-phenoxyphenyl)-1,2,4-triazin-3-amine
CID 112942724
N-(2-methoxy-5-methylphenyl)-2-methyl-6-(4-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112869263
N-(2-methoxyphenyl)-2-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112876573
N-(2-methoxyphenyl)-2-methyl-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 112874750
N-(2-methoxyphenyl)-2-methyl-6-morpholin-4-ylpyrimidin-4-amine
CID 112869929
2-methyl-6-(3-methylpiperidin-1-yl)-N-(4-phenoxyphenyl)pyrimidin-4-amine
CID 112876602
N-(2-ethoxyphenyl)-2-methyl-6-piperidin-1-ylpyrimidin-4-amine
CID 112868907
6-methyl-N-(2-phenoxyphenyl)-2-pyrrolidin-1-ylpyrimidin-4-amine
CID 112909578
N-cyclopentyl-2-methyl-6-(2-phenoxyanilino)pyrimidine-4-carboxamide
CID 109363408
1-[6-(2-fluoroanilino)-2-methylpyrimidin-4-yl]piperidine-4-carboxylic acid
CID 113193622

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(4-methylpiperidin-1-yl)-N-(2-phenoxyphenyl)pyrimidin-4-amine?
The IUPAC name of 2-methyl-6-(4-methylpiperidin-1-yl)-N-(2-phenoxyphenyl)pyrimidin-4-amine (CID 112869302) is 2-methyl-6-(4-methylpiperidin-1-yl)-N-(2-phenoxyphenyl)pyrimidin-4-amine.
What is the SMILES notation for 2-methyl-6-(4-methylpiperidin-1-yl)-N-(2-phenoxyphenyl)pyrimidin-4-amine?
The canonical SMILES for 2-methyl-6-(4-methylpiperidin-1-yl)-N-(2-phenoxyphenyl)pyrimidin-4-amine is Cc1nc(Nc2ccccc2Oc2ccccc2)cc(N2CCC(C)CC2)n1.
What is the InChIKey of 2-methyl-6-(4-methylpiperidin-1-yl)-N-(2-phenoxyphenyl)pyrimidin-4-amine?
The InChIKey is NWJJNYMKKJTVSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O/c1-17-12-14-27(15-13-17)23-16-22(24-18(2)25-23)26-20-10-6-7-11-21(20)28-19-8-4-3-5-9-19/h3-11,16-17H,12-15H2,1-2H3,(H,24,25,26).
What are the key properties of 2-methyl-6-(4-methylpiperidin-1-yl)-N-(2-phenoxyphenyl)pyrimidin-4-amine?
2-methyl-6-(4-methylpiperidin-1-yl)-N-(2-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-(4-methylpiperidin-1-yl)-N-(2-phenoxyphenyl)pyrimidin-4-amine is sourced from PubChem (CID 112869302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).