2-N-cyclopentyl-4-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine

C18H24N4O3 — CID 112884414

IUPAC2-N-cyclopentyl-4-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine
SMILESCOc1cc(Nc2ccnc(NC3CCCC3)n2)cc(OC)c1OC
InChIInChI=1S/C18H24N4O3/c1-23-14-10-13(11-15(24-2)17(14)25-3)20-16-8-9-19-18(22-16)21-12-6-4-5-7-12/h8-12H,4-7H2,1-3H3,(H2,19,20,21,22)
InChIKeyKZWWZUWQICVEDW-UHFFFAOYSA-N
MW344.42 g/mol
LogP3.60
Rot. Bonds7

About 2-N-cyclopentyl-4-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine

2-N-cyclopentyl-4-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine (PubChem CID 112884414) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is 2-N-cyclopentyl-4-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-cyclopentyl-4-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine
PubChem CID112884414
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC Name2-N-cyclopentyl-4-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine
SMILESCOc1cc(Nc2ccnc(NC3CCCC3)n2)cc(OC)c1OC
InChIInChI=1S/C18H24N4O3/c1-23-14-10-13(11-15(24-2)17(14)25-3)20-16-8-9-19-18(22-16)21-12-6-4-5-7-12/h8-12H,4-7H2,1-3H3,(H2,19,20,21,22)
InChIKeyKZWWZUWQICVEDW-UHFFFAOYSA-N
XLogP3.60
TPSA77.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-N-cyclopentyl-6-methyl-4-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine
CID 112909948
4-N-(3,4,5-trimethoxyphenyl)-2-N-(2,4,6-trimethylphenyl)pyrimidine-2,4-diamine
CID 112903224
2-N-(2-chlorophenyl)-4-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine
CID 112903653
2-N-[4-(trifluoromethyl)phenyl]-4-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine
CID 117091406
2-N,4-N-dicyclopentylpyrimidine-2,4-diamine
CID 112884114
4-N-(3-bromo-4-methylphenyl)-2-N-cyclohexylpyrimidine-2,4-diamine
CID 112885012
4-N-cyclopentyl-2-N-(2,5-dimethoxyphenyl)pyrimidine-2,4-diamine
CID 112884245
4-N-cycloheptyl-2-N-(4-methoxyphenyl)pyrimidine-2,4-diamine
CID 112899904
[2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]urea
CID 151561300
2-N-cyclopentyl-4-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-2,4-diamine
CID 112884339
2-N-cyclopentyl-4-N-(2-methoxyethyl)pyrimidine-2,4-diamine
CID 112884308
2-N-cycloheptyl-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-2,4-diamine
CID 112899999

Frequently Asked Questions

What is the IUPAC name of 2-N-cyclopentyl-4-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-cyclopentyl-4-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine (CID 112884414) is 2-N-cyclopentyl-4-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-cyclopentyl-4-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-cyclopentyl-4-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine is COc1cc(Nc2ccnc(NC3CCCC3)n2)cc(OC)c1OC.
What is the InChIKey of 2-N-cyclopentyl-4-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine?
The InChIKey is KZWWZUWQICVEDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-23-14-10-13(11-15(24-2)17(14)25-3)20-16-8-9-19-18(22-16)21-12-6-4-5-7-12/h8-12H,4-7H2,1-3H3,(H2,19,20,21,22).
What are the key properties of 2-N-cyclopentyl-4-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine?
2-N-cyclopentyl-4-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine has a molecular weight of 344.42 g/mol, XLogP of 3.60, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-cyclopentyl-4-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112884414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).