4-N-cyclopentyl-6-methyl-2-N-(2-phenoxyphenyl)pyrimidine-2,4-diamine

C22H24N4O — CID 112909762

IUPAC4-N-cyclopentyl-6-methyl-2-N-(2-phenoxyphenyl)pyrimidine-2,4-diamine
SMILESCc1cc(NC2CCCC2)nc(Nc2ccccc2Oc2ccccc2)n1
InChIInChI=1S/C22H24N4O/c1-16-15-21(24-17-9-5-6-10-17)26-22(23-16)25-19-13-7-8-14-20(19)27-18-11-3-2-4-12-18/h2-4,7-8,11-15,17H,5-6,9-10H2,1H3,(H2,23,24,25,26)
InChIKeyFFJGONDWIOQHIS-UHFFFAOYSA-N
MW360.46 g/mol
LogP5.68
Rot. Bonds6

About 4-N-cyclopentyl-6-methyl-2-N-(2-phenoxyphenyl)pyrimidine-2,4-diamine

4-N-cyclopentyl-6-methyl-2-N-(2-phenoxyphenyl)pyrimidine-2,4-diamine (PubChem CID 112909762) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is 4-N-cyclopentyl-6-methyl-2-N-(2-phenoxyphenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-cyclopentyl-6-methyl-2-N-(2-phenoxyphenyl)pyrimidine-2,4-diamine
PubChem CID112909762
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC Name4-N-cyclopentyl-6-methyl-2-N-(2-phenoxyphenyl)pyrimidine-2,4-diamine
SMILESCc1cc(NC2CCCC2)nc(Nc2ccccc2Oc2ccccc2)n1
InChIInChI=1S/C22H24N4O/c1-16-15-21(24-17-9-5-6-10-17)26-22(23-16)25-19-13-7-8-14-20(19)27-18-11-3-2-4-12-18/h2-4,7-8,11-15,17H,5-6,9-10H2,1H3,(H2,23,24,25,26)
InChIKeyFFJGONDWIOQHIS-UHFFFAOYSA-N
XLogP5.68
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.46
LogP ≤ 55.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-methyl-4-N-(2-phenoxyphenyl)-2-N-phenylpyrimidine-2,4-diamine
CID 112926974
4-N-cycloheptyl-6-methyl-2-N-phenylpyrimidine-2,4-diamine
CID 112924879
6-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)-2-N-(2-phenoxyphenyl)pyrimidine-2,4-diamine
CID 112932160
6-methyl-2-N-(2-phenoxyphenyl)-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112919228
4-N-cyclopropyl-6-methyl-2-N-phenylpyrimidine-2,4-diamine
CID 83718542
6-methyl-2-N-(5-methyl-1,2-oxazol-3-yl)-4-N-(2-phenoxyphenyl)pyrimidine-2,4-diamine
CID 112932156
4-N-cyclohexyl-2-N-(2,4-dimethylphenyl)-6-methylpyrimidine-2,4-diamine
CID 112910414
2-[[2-(cyclohexylamino)-6-methylpyrimidin-4-yl]amino]benzoic acid
CID 113194569
6-methyl-N-(2-phenoxyphenyl)-2-pyrrolidin-1-ylpyrimidin-4-amine
CID 112909578
2-N-(4-chlorophenyl)-4-N-cyclohexyl-6-methylpyrimidine-2,4-diamine
CID 112910433
4-N-cycloheptyl-2-N-(3,4-dimethylphenyl)-6-methylpyrimidine-2,4-diamine
CID 112924888
N-cyclopentyl-2-methyl-6-(2-phenoxyanilino)pyrimidine-4-carboxamide
CID 109363408

Frequently Asked Questions

What is the IUPAC name of 4-N-cyclopentyl-6-methyl-2-N-(2-phenoxyphenyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-cyclopentyl-6-methyl-2-N-(2-phenoxyphenyl)pyrimidine-2,4-diamine (CID 112909762) is 4-N-cyclopentyl-6-methyl-2-N-(2-phenoxyphenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-cyclopentyl-6-methyl-2-N-(2-phenoxyphenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-cyclopentyl-6-methyl-2-N-(2-phenoxyphenyl)pyrimidine-2,4-diamine is Cc1cc(NC2CCCC2)nc(Nc2ccccc2Oc2ccccc2)n1.
What is the InChIKey of 4-N-cyclopentyl-6-methyl-2-N-(2-phenoxyphenyl)pyrimidine-2,4-diamine?
The InChIKey is FFJGONDWIOQHIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c1-16-15-21(24-17-9-5-6-10-17)26-22(23-16)25-19-13-7-8-14-20(19)27-18-11-3-2-4-12-18/h2-4,7-8,11-15,17H,5-6,9-10H2,1H3,(H2,23,24,25,26).
What are the key properties of 4-N-cyclopentyl-6-methyl-2-N-(2-phenoxyphenyl)pyrimidine-2,4-diamine?
4-N-cyclopentyl-6-methyl-2-N-(2-phenoxyphenyl)pyrimidine-2,4-diamine has a molecular weight of 360.46 g/mol, XLogP of 5.68, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclopentyl-6-methyl-2-N-(2-phenoxyphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112909762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).