4-N-cyclopentyl-2-N-(2,5-dimethoxyphenyl)pyrimidine-2,4-diamine

C17H22N4O2 — CID 112884245

IUPAC4-N-cyclopentyl-2-N-(2,5-dimethoxyphenyl)pyrimidine-2,4-diamine
SMILESCOc1ccc(OC)c(Nc2nccc(NC3CCCC3)n2)c1
InChIInChI=1S/C17H22N4O2/c1-22-13-7-8-15(23-2)14(11-13)20-17-18-10-9-16(21-17)19-12-5-3-4-6-12/h7-12H,3-6H2,1-2H3,(H2,18,19,20,21)
InChIKeyHJUPCEWHKKBEPR-UHFFFAOYSA-N
MW314.39 g/mol
LogP3.59
Rot. Bonds6

About 4-N-cyclopentyl-2-N-(2,5-dimethoxyphenyl)pyrimidine-2,4-diamine

4-N-cyclopentyl-2-N-(2,5-dimethoxyphenyl)pyrimidine-2,4-diamine (PubChem CID 112884245) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 4-N-cyclopentyl-2-N-(2,5-dimethoxyphenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-cyclopentyl-2-N-(2,5-dimethoxyphenyl)pyrimidine-2,4-diamine
PubChem CID112884245
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name4-N-cyclopentyl-2-N-(2,5-dimethoxyphenyl)pyrimidine-2,4-diamine
SMILESCOc1ccc(OC)c(Nc2nccc(NC3CCCC3)n2)c1
InChIInChI=1S/C17H22N4O2/c1-22-13-7-8-15(23-2)14(11-13)20-17-18-10-9-16(21-17)19-12-5-3-4-6-12/h7-12H,3-6H2,1-2H3,(H2,18,19,20,21)
InChIKeyHJUPCEWHKKBEPR-UHFFFAOYSA-N
XLogP3.59
TPSA68.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-cyclopropyl-2-N-(2,5-dimethoxyphenyl)pyrimidine-2,4-diamine
CID 112882303
4-N-cycloheptyl-2-N-(4-methoxyphenyl)pyrimidine-2,4-diamine
CID 112899904
2-N-(2,5-dimethoxyphenyl)-4-N-(2,4,6-trimethylphenyl)pyrimidine-2,4-diamine
CID 112903194
3-N-cyclohexyl-5-N-(2,5-dimethoxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112942500
2-N-(5-chloro-2-methoxyphenyl)-4-N-(2,5-dimethoxyphenyl)pyrimidine-2,4-diamine
CID 112904397
2-N-(2,5-dimethoxyphenyl)-4-N-propylpyrimidine-2,4-diamine
CID 112881863
4-N-(2,4-dimethoxyphenyl)-2-N-(2-methoxy-5-methylphenyl)pyrimidine-2,4-diamine
CID 112905061
4-N-cyclopentyl-6-N-(2,5-dimethoxyphenyl)-2-phenylpyrimidine-4,6-diamine
CID 112880075
4-N-(2,5-dimethoxyphenyl)-2-N-(2,4-dimethylphenyl)pyrimidine-2,4-diamine
CID 112902472
N-cyclopropyl-2-(2,5-dimethoxyanilino)pyrimidine-4-carboxamide
CID 109295850
2-N-(2,5-dimethoxyphenyl)-4-N-[3-(dimethylamino)propyl]pyrimidine-2,4-diamine
CID 112887682
4-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-N-(2,5-dimethoxyphenyl)pyrimidine-2,4-diamine
CID 112905312

Frequently Asked Questions

What is the IUPAC name of 4-N-cyclopentyl-2-N-(2,5-dimethoxyphenyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-cyclopentyl-2-N-(2,5-dimethoxyphenyl)pyrimidine-2,4-diamine (CID 112884245) is 4-N-cyclopentyl-2-N-(2,5-dimethoxyphenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-cyclopentyl-2-N-(2,5-dimethoxyphenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-cyclopentyl-2-N-(2,5-dimethoxyphenyl)pyrimidine-2,4-diamine is COc1ccc(OC)c(Nc2nccc(NC3CCCC3)n2)c1.
What is the InChIKey of 4-N-cyclopentyl-2-N-(2,5-dimethoxyphenyl)pyrimidine-2,4-diamine?
The InChIKey is HJUPCEWHKKBEPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-22-13-7-8-15(23-2)14(11-13)20-17-18-10-9-16(21-17)19-12-5-3-4-6-12/h7-12H,3-6H2,1-2H3,(H2,18,19,20,21).
What are the key properties of 4-N-cyclopentyl-2-N-(2,5-dimethoxyphenyl)pyrimidine-2,4-diamine?
4-N-cyclopentyl-2-N-(2,5-dimethoxyphenyl)pyrimidine-2,4-diamine has a molecular weight of 314.39 g/mol, XLogP of 3.59, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclopentyl-2-N-(2,5-dimethoxyphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112884245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).