4-N-cyclopentyl-6-N-(2,5-dimethoxyphenyl)-2-phenylpyrimidine-4,6-diamine

C23H26N4O2 — CID 112880075

IUPAC4-N-cyclopentyl-6-N-(2,5-dimethoxyphenyl)-2-phenylpyrimidine-4,6-diamine
SMILESCOc1ccc(OC)c(Nc2cc(NC3CCCC3)nc(-c3ccccc3)n2)c1
InChIInChI=1S/C23H26N4O2/c1-28-18-12-13-20(29-2)19(14-18)25-22-15-21(24-17-10-6-7-11-17)26-23(27-22)16-8-4-3-5-9-16/h3-5,8-9,12-15,17H,6-7,10-11H2,1-2H3,(H2,24,25,26,27)
InChIKeyNSOQBMOTIPUGPP-UHFFFAOYSA-N
MW390.49 g/mol
LogP5.26
Rot. Bonds7

About 4-N-cyclopentyl-6-N-(2,5-dimethoxyphenyl)-2-phenylpyrimidine-4,6-diamine

4-N-cyclopentyl-6-N-(2,5-dimethoxyphenyl)-2-phenylpyrimidine-4,6-diamine (PubChem CID 112880075) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is 4-N-cyclopentyl-6-N-(2,5-dimethoxyphenyl)-2-phenylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-cyclopentyl-6-N-(2,5-dimethoxyphenyl)-2-phenylpyrimidine-4,6-diamine
PubChem CID112880075
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC Name4-N-cyclopentyl-6-N-(2,5-dimethoxyphenyl)-2-phenylpyrimidine-4,6-diamine
SMILESCOc1ccc(OC)c(Nc2cc(NC3CCCC3)nc(-c3ccccc3)n2)c1
InChIInChI=1S/C23H26N4O2/c1-28-18-12-13-20(29-2)19(14-18)25-22-15-21(24-17-10-6-7-11-17)26-23(27-22)16-8-4-3-5-9-16/h3-5,8-9,12-15,17H,6-7,10-11H2,1-2H3,(H2,24,25,26,27)
InChIKeyNSOQBMOTIPUGPP-UHFFFAOYSA-N
XLogP5.26
TPSA68.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.49
LogP ≤ 55.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-cyclopropyl-6-N-(4-methoxyphenyl)-2-phenylpyrimidine-4,6-diamine
CID 112879528
N-(2,5-dimethoxyphenyl)-2-phenyl-6-piperidin-1-ylpyrimidin-4-amine
CID 112880134
6-(cyclopropylamino)-N-(2,5-dimethoxyphenyl)-2-phenylpyrimidine-4-carboxamide
CID 112851799
4-N-cyclopentyl-6-N-[(4-methoxyphenyl)methyl]-2-phenylpyrimidine-4,6-diamine
CID 112880055
4-N-cyclopentyl-2-N-(2,5-dimethoxyphenyl)pyrimidine-2,4-diamine
CID 112884245
N-cyclopentyl-6-methoxy-2-phenylpyrimidin-4-amine
CID 71031794
3-N-cyclohexyl-5-N-(2,5-dimethoxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112942500
6-(cyclopropylamino)-N-(2,4-dimethoxyphenyl)-2-phenylpyrimidine-4-carboxamide
CID 112851800
4-N-cyclopropyl-2-N-(2,5-dimethoxyphenyl)pyrimidine-2,4-diamine
CID 112882303
6-N-(5-chloro-2-methoxyphenyl)-4-N-cycloheptyl-2-methylpyrimidine-4,6-diamine
CID 112876038
6-N-(5-chloro-2-methoxyphenyl)-4-N-cyclohexyl-2-methylpyrimidine-4,6-diamine
CID 112869079
4-N-cyclobutyl-6-N-methyl-2-phenylpyrimidine-4,6-diamine
CID 112559826

Frequently Asked Questions

What is the IUPAC name of 4-N-cyclopentyl-6-N-(2,5-dimethoxyphenyl)-2-phenylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-cyclopentyl-6-N-(2,5-dimethoxyphenyl)-2-phenylpyrimidine-4,6-diamine (CID 112880075) is 4-N-cyclopentyl-6-N-(2,5-dimethoxyphenyl)-2-phenylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-cyclopentyl-6-N-(2,5-dimethoxyphenyl)-2-phenylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-cyclopentyl-6-N-(2,5-dimethoxyphenyl)-2-phenylpyrimidine-4,6-diamine is COc1ccc(OC)c(Nc2cc(NC3CCCC3)nc(-c3ccccc3)n2)c1.
What is the InChIKey of 4-N-cyclopentyl-6-N-(2,5-dimethoxyphenyl)-2-phenylpyrimidine-4,6-diamine?
The InChIKey is NSOQBMOTIPUGPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-28-18-12-13-20(29-2)19(14-18)25-22-15-21(24-17-10-6-7-11-17)26-23(27-22)16-8-4-3-5-9-16/h3-5,8-9,12-15,17H,6-7,10-11H2,1-2H3,(H2,24,25,26,27).
What are the key properties of 4-N-cyclopentyl-6-N-(2,5-dimethoxyphenyl)-2-phenylpyrimidine-4,6-diamine?
4-N-cyclopentyl-6-N-(2,5-dimethoxyphenyl)-2-phenylpyrimidine-4,6-diamine has a molecular weight of 390.49 g/mol, XLogP of 5.26, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclopentyl-6-N-(2,5-dimethoxyphenyl)-2-phenylpyrimidine-4,6-diamine is sourced from PubChem (CID 112880075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).