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

C13H14Cl2N4 — CID 112881906

IUPAC2-N-(3,4-dichlorophenyl)-4-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1ccnc(Nc2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C13H14Cl2N4/c1-2-6-16-12-5-7-17-13(19-12)18-9-3-4-10(14)11(15)8-9/h3-5,7-8H,2,6H2,1H3,(H2,16,17,18,19)
InChIKeyXBRLWHKXIJQYSD-UHFFFAOYSA-N
MW297.19 g/mol
LogP4.35
Rot. Bonds5

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

2-N-(3,4-dichlorophenyl)-4-N-propylpyrimidine-2,4-diamine (PubChem CID 112881906) has the molecular formula C13H14Cl2N4 and a molecular weight of 297.19 g/mol. Its IUPAC name is 2-N-(3,4-dichlorophenyl)-4-N-propylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(3,4-dichlorophenyl)-4-N-propylpyrimidine-2,4-diamine
PubChem CID112881906
Molecular FormulaC13H14Cl2N4
Molecular Weight297.19 g/mol
Exact Mass296.06
IUPAC Name2-N-(3,4-dichlorophenyl)-4-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1ccnc(Nc2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C13H14Cl2N4/c1-2-6-16-12-5-7-17-13(19-12)18-9-3-4-10(14)11(15)8-9/h3-5,7-8H,2,6H2,1H3,(H2,16,17,18,19)
InChIKeyXBRLWHKXIJQYSD-UHFFFAOYSA-N
XLogP4.35
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.19
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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-tert-butyl-2-N-(3,4-dichlorophenyl)pyrimidine-2,4-diamine
CID 112899778
2-N-(3-bromo-4-methylphenyl)-4-N-propylpyrimidine-2,4-diamine
CID 112881854
2-N-(3,5-dimethylphenyl)-4-N-propylpyrimidine-2,4-diamine
CID 112881826
2-N-(2-chlorophenyl)-4-N-propylpyrimidine-2,4-diamine
CID 112881842
4-N-(3,4-dichlorophenyl)-2-N-(4-methylphenyl)pyrimidine-2,4-diamine
CID 112902002
2-(3,4-dichloroanilino)-N-propylpyrimidine-4-carboxamide
CID 109295101
2-N-(3-chloro-4-methylphenyl)-4-N-[(4-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112890332
2-N-tert-butyl-4-N-(3,4-dichlorophenyl)pyrimidine-2,4-diamine
CID 112899845
4-N-(3,4-dichlorophenyl)-2-N-(3-methylphenyl)pyrimidine-2,4-diamine
CID 112901934
5-N-(3,4-dichlorophenyl)-3-N-propyl-1,2,4-triazine-3,5-diamine
CID 112938670

Frequently Asked Questions

What is the IUPAC name of 2-N-(3,4-dichlorophenyl)-4-N-propylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-(3,4-dichlorophenyl)-4-N-propylpyrimidine-2,4-diamine (CID 112881906) is 2-N-(3,4-dichlorophenyl)-4-N-propylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(3,4-dichlorophenyl)-4-N-propylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(3,4-dichlorophenyl)-4-N-propylpyrimidine-2,4-diamine is CCCNc1ccnc(Nc2ccc(Cl)c(Cl)c2)n1.
What is the InChIKey of 2-N-(3,4-dichlorophenyl)-4-N-propylpyrimidine-2,4-diamine?
The InChIKey is XBRLWHKXIJQYSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2N4/c1-2-6-16-12-5-7-17-13(19-12)18-9-3-4-10(14)11(15)8-9/h3-5,7-8H,2,6H2,1H3,(H2,16,17,18,19).
What are the key properties of 2-N-(3,4-dichlorophenyl)-4-N-propylpyrimidine-2,4-diamine?
2-N-(3,4-dichlorophenyl)-4-N-propylpyrimidine-2,4-diamine has a molecular weight of 297.19 g/mol, XLogP of 4.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3,4-dichlorophenyl)-4-N-propylpyrimidine-2,4-diamine is sourced from PubChem (CID 112881906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).