2-N-(3-chlorophenyl)-4-N-propylpyrimidine-2,4-diamine

C13H15ClN4 — CID 112881843

IUPAC2-N-(3-chlorophenyl)-4-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1ccnc(Nc2cccc(Cl)c2)n1
InChIInChI=1S/C13H15ClN4/c1-2-7-15-12-6-8-16-13(18-12)17-11-5-3-4-10(14)9-11/h3-6,8-9H,2,7H2,1H3,(H2,15,16,17,18)
InChIKeyIUUSGDILRHDCFQ-UHFFFAOYSA-N
MW262.74 g/mol
LogP3.70
Rot. Bonds5

About 2-N-(3-chlorophenyl)-4-N-propylpyrimidine-2,4-diamine

2-N-(3-chlorophenyl)-4-N-propylpyrimidine-2,4-diamine (PubChem CID 112881843) has the molecular formula C13H15ClN4 and a molecular weight of 262.74 g/mol. Its IUPAC name is 2-N-(3-chlorophenyl)-4-N-propylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(3-chlorophenyl)-4-N-propylpyrimidine-2,4-diamine
PubChem CID112881843
Molecular FormulaC13H15ClN4
Molecular Weight262.74 g/mol
Exact Mass262.10
IUPAC Name2-N-(3-chlorophenyl)-4-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1ccnc(Nc2cccc(Cl)c2)n1
InChIInChI=1S/C13H15ClN4/c1-2-7-15-12-6-8-16-13(18-12)17-11-5-3-4-10(14)9-11/h3-6,8-9H,2,7H2,1H3,(H2,15,16,17,18)
InChIKeyIUUSGDILRHDCFQ-UHFFFAOYSA-N
XLogP3.70
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.74
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-(3-chlorophenyl)-4-N-[2-(dimethylamino)ethyl]pyrimidine-2,4-diamine
CID 23652519
2-N-(3,4-dichlorophenyl)-4-N-propylpyrimidine-2,4-diamine
CID 112881906
2-N-(3-chloro-4-methylphenyl)-4-N-propylpyrimidine-2,4-diamine
CID 112881848
4-N-[2-(3-chlorophenyl)ethyl]-2-N-(4-methylphenyl)pyrimidine-2,4-diamine
CID 112901380
2-N-(3,5-dimethylphenyl)-4-N-propylpyrimidine-2,4-diamine
CID 112881826
2-N-(3-chlorophenyl)-4-N-[(2-fluorophenyl)methyl]pyrimidine-2,4-diamine
CID 112891158
2-N-(3-bromo-4-methylphenyl)-4-N-propylpyrimidine-2,4-diamine
CID 112881854
2-N-(3-bromo-4-methylphenyl)-4-N-(3-chlorophenyl)pyrimidine-2,4-diamine
CID 112903672
2-N-(2-chlorophenyl)-4-N-propylpyrimidine-2,4-diamine
CID 112881842
2-N-(3-chlorophenyl)-6-N-propylpyrazine-2,6-diamine
CID 80760387
2-[[2-(3-chloroanilino)pyrimidin-4-yl]amino]-1-(4-methylphenyl)ethanol
CID 24824262
4-N-(3-chlorophenyl)-2-N-[3-(dimethylamino)propyl]pyrimidine-2,4-diamine
CID 112887825

Frequently Asked Questions

What is the IUPAC name of 2-N-(3-chlorophenyl)-4-N-propylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-(3-chlorophenyl)-4-N-propylpyrimidine-2,4-diamine (CID 112881843) is 2-N-(3-chlorophenyl)-4-N-propylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(3-chlorophenyl)-4-N-propylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(3-chlorophenyl)-4-N-propylpyrimidine-2,4-diamine is CCCNc1ccnc(Nc2cccc(Cl)c2)n1.
What is the InChIKey of 2-N-(3-chlorophenyl)-4-N-propylpyrimidine-2,4-diamine?
The InChIKey is IUUSGDILRHDCFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4/c1-2-7-15-12-6-8-16-13(18-12)17-11-5-3-4-10(14)9-11/h3-6,8-9H,2,7H2,1H3,(H2,15,16,17,18).
What are the key properties of 2-N-(3-chlorophenyl)-4-N-propylpyrimidine-2,4-diamine?
2-N-(3-chlorophenyl)-4-N-propylpyrimidine-2,4-diamine has a molecular weight of 262.74 g/mol, XLogP of 3.70, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-chlorophenyl)-4-N-propylpyrimidine-2,4-diamine is sourced from PubChem (CID 112881843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).