6-chloro-N-(3-chlorophenyl)-2-propylpyrimidin-4-amine

C13H13Cl2N3 — CID 80938749

IUPAC6-chloro-N-(3-chlorophenyl)-2-propylpyrimidin-4-amine
SMILESCCCc1nc(Cl)cc(Nc2cccc(Cl)c2)n1
InChIInChI=1S/C13H13Cl2N3/c1-2-4-12-17-11(15)8-13(18-12)16-10-6-3-5-9(14)7-10/h3,5-8H,2,4H2,1H3,(H,16,17,18)
InChIKeyLKZKBNHHSHZSLN-UHFFFAOYSA-N
MW282.17 g/mol
LogP4.48
Rot. Bonds4

About 6-chloro-N-(3-chlorophenyl)-2-propylpyrimidin-4-amine

6-chloro-N-(3-chlorophenyl)-2-propylpyrimidin-4-amine (PubChem CID 80938749) has the molecular formula C13H13Cl2N3 and a molecular weight of 282.17 g/mol. Its IUPAC name is 6-chloro-N-(3-chlorophenyl)-2-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(3-chlorophenyl)-2-propylpyrimidin-4-amine
PubChem CID80938749
Molecular FormulaC13H13Cl2N3
Molecular Weight282.17 g/mol
Exact Mass281.05
IUPAC Name6-chloro-N-(3-chlorophenyl)-2-propylpyrimidin-4-amine
SMILESCCCc1nc(Cl)cc(Nc2cccc(Cl)c2)n1
InChIInChI=1S/C13H13Cl2N3/c1-2-4-12-17-11(15)8-13(18-12)16-10-6-3-5-9(14)7-10/h3,5-8H,2,4H2,1H3,(H,16,17,18)
InChIKeyLKZKBNHHSHZSLN-UHFFFAOYSA-N
XLogP4.48
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.17
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-(3-chlorophenyl)-6-N-ethyl-2-propylpyrimidine-4,6-diamine
CID 80945010
4-N-(3-chlorophenyl)-6-N,2-dipropylpyrimidine-4,6-diamine
CID 80938555
N-(4-butylphenyl)-6-chloro-2-propylpyrimidin-4-amine
CID 80939572
6-chloro-N-(4-methylsulfanylphenyl)-2-propylpyrimidin-4-amine
CID 80939171
6-chloro-N-(4-chloro-2-fluorophenyl)-2-propylpyrimidin-4-amine
CID 80939820
N-(1-benzothiophen-5-yl)-6-chloro-2-propylpyrimidin-4-amine
CID 80946343
6-chloro-N-(2-propan-2-ylphenyl)-2-propylpyrimidin-4-amine
CID 80939396
N-(2-bromo-6-fluorophenyl)-6-chloro-2-propylpyrimidin-4-amine
CID 107602346
6-N-methyl-4-N-(3-methylphenyl)-2-propylpyrimidine-4,6-diamine
CID 80945398
N-(6-chloro-2-propylpyrimidin-4-yl)quinolin-5-amine
CID 80939768
6-chloro-N-(5-fluoro-2-methylphenyl)-2-propylpyrimidin-4-amine
CID 80938347
N-(3-ethylphenyl)-6-hydrazinyl-2-propylpyrimidin-4-amine
CID 80947085

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(3-chlorophenyl)-2-propylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-(3-chlorophenyl)-2-propylpyrimidin-4-amine (CID 80938749) is 6-chloro-N-(3-chlorophenyl)-2-propylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-(3-chlorophenyl)-2-propylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-(3-chlorophenyl)-2-propylpyrimidin-4-amine is CCCc1nc(Cl)cc(Nc2cccc(Cl)c2)n1.
What is the InChIKey of 6-chloro-N-(3-chlorophenyl)-2-propylpyrimidin-4-amine?
The InChIKey is LKZKBNHHSHZSLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2N3/c1-2-4-12-17-11(15)8-13(18-12)16-10-6-3-5-9(14)7-10/h3,5-8H,2,4H2,1H3,(H,16,17,18).
What are the key properties of 6-chloro-N-(3-chlorophenyl)-2-propylpyrimidin-4-amine?
6-chloro-N-(3-chlorophenyl)-2-propylpyrimidin-4-amine has a molecular weight of 282.17 g/mol, XLogP of 4.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(3-chlorophenyl)-2-propylpyrimidin-4-amine is sourced from PubChem (CID 80938749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).