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

C19H26N4O — CID 112868724

IUPAC4-N-cyclopentyl-2-methyl-6-N-(4-propan-2-yloxyphenyl)pyrimidine-4,6-diamine
SMILESCc1nc(Nc2ccc(OC(C)C)cc2)cc(NC2CCCC2)n1
InChIInChI=1S/C19H26N4O/c1-13(2)24-17-10-8-16(9-11-17)23-19-12-18(20-14(3)21-19)22-15-6-4-5-7-15/h8-13,15H,4-7H2,1-3H3,(H2,20,21,22,23)
InChIKeyWIFNGOITZCHLIY-UHFFFAOYSA-N
MW326.44 g/mol
LogP4.67
Rot. Bonds6

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

4-N-cyclopentyl-2-methyl-6-N-(4-propan-2-yloxyphenyl)pyrimidine-4,6-diamine (PubChem CID 112868724) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is 4-N-cyclopentyl-2-methyl-6-N-(4-propan-2-yloxyphenyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-cyclopentyl-2-methyl-6-N-(4-propan-2-yloxyphenyl)pyrimidine-4,6-diamine
PubChem CID112868724
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC Name4-N-cyclopentyl-2-methyl-6-N-(4-propan-2-yloxyphenyl)pyrimidine-4,6-diamine
SMILESCc1nc(Nc2ccc(OC(C)C)cc2)cc(NC2CCCC2)n1
InChIInChI=1S/C19H26N4O/c1-13(2)24-17-10-8-16(9-11-17)23-19-12-18(20-14(3)21-19)22-15-6-4-5-7-15/h8-13,15H,4-7H2,1-3H3,(H2,20,21,22,23)
InChIKeyWIFNGOITZCHLIY-UHFFFAOYSA-N
XLogP4.67
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-cyclohexyl-2-methyl-6-N-(4-methylphenyl)pyrimidine-4,6-diamine
CID 112869053
4-N-(4-chlorophenyl)-2-methyl-6-N-(4-propan-2-yloxyphenyl)pyrimidine-4,6-diamine
CID 112878027
2-methyl-N-(4-propan-2-yloxyphenyl)-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 112868535
4-N-cyclohexyl-6-N-(3,4-dimethylphenyl)-2-methylpyrimidine-4,6-diamine
CID 112869059
4-[[6-(cyclopentylamino)-2-methylpyrimidin-4-yl]amino]benzoic acid
CID 113193209
methyl 4-[[6-(cycloheptylamino)-2-methylpyrimidin-4-yl]amino]benzoate
CID 112876057
1-[4-[[6-(cycloheptylamino)-2-methylpyrimidin-4-yl]amino]phenyl]ethanone
CID 112876052
2-methyl-4-N-(4-propan-2-yloxyphenyl)-6-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine
CID 112873618
2-N-cyclopropyl-6-phenyl-4-N-(4-propan-2-yloxyphenyl)pyrimidine-2,4-diamine
CID 112933194
4-[[6-(cyclopropylamino)-2-methylpyrimidin-4-yl]amino]benzonitrile
CID 112867629
4-N-cyclopentyl-6-N-(3-fluorophenyl)-2-methylpyrimidine-4,6-diamine
CID 112868750
2-(2-ethylpiperidin-1-yl)-6-methyl-N-(4-propan-2-yloxyphenyl)pyrimidin-4-amine
CID 112925995

Frequently Asked Questions

What is the IUPAC name of 4-N-cyclopentyl-2-methyl-6-N-(4-propan-2-yloxyphenyl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N-cyclopentyl-2-methyl-6-N-(4-propan-2-yloxyphenyl)pyrimidine-4,6-diamine (CID 112868724) is 4-N-cyclopentyl-2-methyl-6-N-(4-propan-2-yloxyphenyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-cyclopentyl-2-methyl-6-N-(4-propan-2-yloxyphenyl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-cyclopentyl-2-methyl-6-N-(4-propan-2-yloxyphenyl)pyrimidine-4,6-diamine is Cc1nc(Nc2ccc(OC(C)C)cc2)cc(NC2CCCC2)n1.
What is the InChIKey of 4-N-cyclopentyl-2-methyl-6-N-(4-propan-2-yloxyphenyl)pyrimidine-4,6-diamine?
The InChIKey is WIFNGOITZCHLIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/c1-13(2)24-17-10-8-16(9-11-17)23-19-12-18(20-14(3)21-19)22-15-6-4-5-7-15/h8-13,15H,4-7H2,1-3H3,(H2,20,21,22,23).
What are the key properties of 4-N-cyclopentyl-2-methyl-6-N-(4-propan-2-yloxyphenyl)pyrimidine-4,6-diamine?
4-N-cyclopentyl-2-methyl-6-N-(4-propan-2-yloxyphenyl)pyrimidine-4,6-diamine has a molecular weight of 326.44 g/mol, XLogP of 4.67, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclopentyl-2-methyl-6-N-(4-propan-2-yloxyphenyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 112868724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).