2-N-(2,5-dimethoxyphenyl)-4-N-propylpyrimidine-2,4-diamine

C15H20N4O2 — CID 112881863

IUPAC2-N-(2,5-dimethoxyphenyl)-4-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1ccnc(Nc2cc(OC)ccc2OC)n1
InChIInChI=1S/C15H20N4O2/c1-4-8-16-14-7-9-17-15(19-14)18-12-10-11(20-2)5-6-13(12)21-3/h5-7,9-10H,4,8H2,1-3H3,(H2,16,17,18,19)
InChIKeyJISYJFPQCKOANM-UHFFFAOYSA-N
MW288.35 g/mol
LogP3.06
Rot. Bonds7

About 2-N-(2,5-dimethoxyphenyl)-4-N-propylpyrimidine-2,4-diamine

2-N-(2,5-dimethoxyphenyl)-4-N-propylpyrimidine-2,4-diamine (PubChem CID 112881863) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 2-N-(2,5-dimethoxyphenyl)-4-N-propylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(2,5-dimethoxyphenyl)-4-N-propylpyrimidine-2,4-diamine
PubChem CID112881863
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name2-N-(2,5-dimethoxyphenyl)-4-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1ccnc(Nc2cc(OC)ccc2OC)n1
InChIInChI=1S/C15H20N4O2/c1-4-8-16-14-7-9-17-15(19-14)18-12-10-11(20-2)5-6-13(12)21-3/h5-7,9-10H,4,8H2,1-3H3,(H2,16,17,18,19)
InChIKeyJISYJFPQCKOANM-UHFFFAOYSA-N
XLogP3.06
TPSA68.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-N-(2,5-dimethoxyphenyl)-4-N-propylpyrimidine-2,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-N-(2,5-dimethoxyphenyl)-4-N-[3-(dimethylamino)propyl]pyrimidine-2,4-diamine
CID 112887682
2-N-(2,5-dimethoxyphenyl)-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112893230
2-N-(2,5-dimethoxyphenyl)-4-N-[(4-fluorophenyl)methyl]pyrimidine-2,4-diamine
CID 112891459
2-N-(5-chloro-2-methoxyphenyl)-4-N-(2,5-dimethoxyphenyl)pyrimidine-2,4-diamine
CID 112904397
4-N-(2,5-dimethoxyphenyl)-2-N-(3-methoxypropyl)pyrimidine-2,4-diamine
CID 112886297
4-N-cyclopropyl-2-N-(2,5-dimethoxyphenyl)pyrimidine-2,4-diamine
CID 112882303
4-N-[4-(diethylamino)phenyl]-2-N-(2,5-dimethoxyphenyl)pyrimidine-2,4-diamine
CID 112905309
4-N-cyclopentyl-2-N-(2,5-dimethoxyphenyl)pyrimidine-2,4-diamine
CID 112884245
2-N-(2,5-dimethoxyphenyl)-4-N-(2,4,6-trimethylphenyl)pyrimidine-2,4-diamine
CID 112903194
4-N-(2,5-dimethoxyphenyl)-2-N-(2,4-dimethylphenyl)pyrimidine-2,4-diamine
CID 112902472
4-N-(2,4-dimethoxyphenyl)-2-N-(2-methoxy-5-methylphenyl)pyrimidine-2,4-diamine
CID 112905061
4-N-(2,5-dimethoxyphenyl)-2-N-[2-(2-fluorophenyl)ethyl]pyrimidine-2,4-diamine
CID 112894629

Frequently Asked Questions

What is the IUPAC name of 2-N-(2,5-dimethoxyphenyl)-4-N-propylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-(2,5-dimethoxyphenyl)-4-N-propylpyrimidine-2,4-diamine (CID 112881863) is 2-N-(2,5-dimethoxyphenyl)-4-N-propylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(2,5-dimethoxyphenyl)-4-N-propylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(2,5-dimethoxyphenyl)-4-N-propylpyrimidine-2,4-diamine is CCCNc1ccnc(Nc2cc(OC)ccc2OC)n1.
What is the InChIKey of 2-N-(2,5-dimethoxyphenyl)-4-N-propylpyrimidine-2,4-diamine?
The InChIKey is JISYJFPQCKOANM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-4-8-16-14-7-9-17-15(19-14)18-12-10-11(20-2)5-6-13(12)21-3/h5-7,9-10H,4,8H2,1-3H3,(H2,16,17,18,19).
What are the key properties of 2-N-(2,5-dimethoxyphenyl)-4-N-propylpyrimidine-2,4-diamine?
2-N-(2,5-dimethoxyphenyl)-4-N-propylpyrimidine-2,4-diamine has a molecular weight of 288.35 g/mol, XLogP of 3.06, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2,5-dimethoxyphenyl)-4-N-propylpyrimidine-2,4-diamine is sourced from PubChem (CID 112881863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).