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

C13H15ClN4 — CID 112881842

IUPAC2-N-(2-chlorophenyl)-4-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1ccnc(Nc2ccccc2Cl)n1
InChIInChI=1S/C13H15ClN4/c1-2-8-15-12-7-9-16-13(18-12)17-11-6-4-3-5-10(11)14/h3-7,9H,2,8H2,1H3,(H2,15,16,17,18)
InChIKeyIXWQIPMISSKITO-UHFFFAOYSA-N
MW262.74 g/mol
LogP3.70
Rot. Bonds5

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

2-N-(2-chlorophenyl)-4-N-propylpyrimidine-2,4-diamine (PubChem CID 112881842) has the molecular formula C13H15ClN4 and a molecular weight of 262.74 g/mol. Its IUPAC name is 2-N-(2-chlorophenyl)-4-N-propylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(2-chlorophenyl)-4-N-propylpyrimidine-2,4-diamine
PubChem CID112881842
Molecular FormulaC13H15ClN4
Molecular Weight262.74 g/mol
Exact Mass262.10
IUPAC Name2-N-(2-chlorophenyl)-4-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1ccnc(Nc2ccccc2Cl)n1
InChIInChI=1S/C13H15ClN4/c1-2-8-15-12-7-9-16-13(18-12)17-11-6-4-3-5-10(11)14/h3-7,9H,2,8H2,1H3,(H2,15,16,17,18)
InChIKeyIXWQIPMISSKITO-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

4-N-(2-chlorophenyl)-2-N-propylpyrimidine-2,4-diamine
CID 84501147
2-N-(2-propan-2-yloxyphenyl)-4-N-propylpyrimidine-2,4-diamine
CID 112881861
4-N-(2,3-dichlorophenyl)-2-N-propylpyrimidine-2,4-diamine
CID 80754827
2-N-(3,4-dichlorophenyl)-4-N-propylpyrimidine-2,4-diamine
CID 112881906
methyl 4-chloro-3-[[4-(propylamino)pyrimidin-2-yl]amino]benzoate
CID 112881876
2-N-(3-chloro-4-methylphenyl)-4-N-propylpyrimidine-2,4-diamine
CID 112881848
2-N-(3-chlorophenyl)-4-N-propylpyrimidine-2,4-diamine
CID 112881843
4-N-butyl-2-N-(2-tert-butylphenyl)pyrimidine-2,4-diamine
CID 112882902
4-N-(2,5-dichlorophenyl)-2-N-propylpyrimidine-2,4-diamine
CID 80769305
2-N-(2-ethoxyphenyl)-4-N-pentylpyrimidine-2,4-diamine
CID 112900381
4-N-butyl-2-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112882930
2-N-(3-chloro-2-methylphenyl)-4-N-(3-methoxypropyl)pyrimidine-2,4-diamine
CID 112886096

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-chlorophenyl)-4-N-propylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-(2-chlorophenyl)-4-N-propylpyrimidine-2,4-diamine (CID 112881842) is 2-N-(2-chlorophenyl)-4-N-propylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(2-chlorophenyl)-4-N-propylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(2-chlorophenyl)-4-N-propylpyrimidine-2,4-diamine is CCCNc1ccnc(Nc2ccccc2Cl)n1.
What is the InChIKey of 2-N-(2-chlorophenyl)-4-N-propylpyrimidine-2,4-diamine?
The InChIKey is IXWQIPMISSKITO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4/c1-2-8-15-12-7-9-16-13(18-12)17-11-6-4-3-5-10(11)14/h3-7,9H,2,8H2,1H3,(H2,15,16,17,18).
What are the key properties of 2-N-(2-chlorophenyl)-4-N-propylpyrimidine-2,4-diamine?
2-N-(2-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-(2-chlorophenyl)-4-N-propylpyrimidine-2,4-diamine is sourced from PubChem (CID 112881842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).