6-chloro-N-(4-chloro-2-fluorophenyl)-2-propylpyrimidin-4-amine

C13H12Cl2FN3 — CID 80939820

IUPAC6-chloro-N-(4-chloro-2-fluorophenyl)-2-propylpyrimidin-4-amine
SMILESCCCc1nc(Cl)cc(Nc2ccc(Cl)cc2F)n1
InChIInChI=1S/C13H12Cl2FN3/c1-2-3-12-18-11(15)7-13(19-12)17-10-5-4-8(14)6-9(10)16/h4-7H,2-3H2,1H3,(H,17,18,19)
InChIKeyQXUIJTVSZSXWOU-UHFFFAOYSA-N
MW300.16 g/mol
LogP4.62
Rot. Bonds4

About 6-chloro-N-(4-chloro-2-fluorophenyl)-2-propylpyrimidin-4-amine

6-chloro-N-(4-chloro-2-fluorophenyl)-2-propylpyrimidin-4-amine (PubChem CID 80939820) has the molecular formula C13H12Cl2FN3 and a molecular weight of 300.16 g/mol. Its IUPAC name is 6-chloro-N-(4-chloro-2-fluorophenyl)-2-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(4-chloro-2-fluorophenyl)-2-propylpyrimidin-4-amine
PubChem CID80939820
Molecular FormulaC13H12Cl2FN3
Molecular Weight300.16 g/mol
Exact Mass299.04
IUPAC Name6-chloro-N-(4-chloro-2-fluorophenyl)-2-propylpyrimidin-4-amine
SMILESCCCc1nc(Cl)cc(Nc2ccc(Cl)cc2F)n1
InChIInChI=1S/C13H12Cl2FN3/c1-2-3-12-18-11(15)7-13(19-12)17-10-5-4-8(14)6-9(10)16/h4-7H,2-3H2,1H3,(H,17,18,19)
InChIKeyQXUIJTVSZSXWOU-UHFFFAOYSA-N
XLogP4.62
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.16
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-N-(5-fluoro-2-methylphenyl)-2-propylpyrimidin-4-amine
CID 80938347
4-N-(5-chloro-2-fluorophenyl)-6-N-ethyl-2-propylpyrimidine-4,6-diamine
CID 80940121
4-N-(4-chloro-2-fluorophenyl)-6-N,2-diethylpyrimidine-4,6-diamine
CID 80934644
6-chloro-N-(3-chlorophenyl)-2-propylpyrimidin-4-amine
CID 80938749
6-chloro-N-(4-chloro-2-methylphenyl)-2-ethylpyrimidin-4-amine
CID 114256298
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
N-(4-chloro-2-fluorophenyl)-6-hydrazinyl-5-methyl-2-propylpyrimidin-4-amine
CID 80995143
4-N-(4-chloro-2-fluorophenyl)-6-N-ethylpyrimidine-2,4,6-triamine
CID 80801126
6-N-methyl-2-propyl-4-N-(2,3,4-trifluorophenyl)pyrimidine-4,6-diamine
CID 80940244
6-chloro-N-(4-methylsulfanylphenyl)-2-propylpyrimidin-4-amine
CID 80939171
6-chloro-N-[(3-chloro-4-fluorophenyl)methyl]-2-propylpyrimidin-4-amine
CID 80939443

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(4-chloro-2-fluorophenyl)-2-propylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-(4-chloro-2-fluorophenyl)-2-propylpyrimidin-4-amine (CID 80939820) is 6-chloro-N-(4-chloro-2-fluorophenyl)-2-propylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-(4-chloro-2-fluorophenyl)-2-propylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-(4-chloro-2-fluorophenyl)-2-propylpyrimidin-4-amine is CCCc1nc(Cl)cc(Nc2ccc(Cl)cc2F)n1.
What is the InChIKey of 6-chloro-N-(4-chloro-2-fluorophenyl)-2-propylpyrimidin-4-amine?
The InChIKey is QXUIJTVSZSXWOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2FN3/c1-2-3-12-18-11(15)7-13(19-12)17-10-5-4-8(14)6-9(10)16/h4-7H,2-3H2,1H3,(H,17,18,19).
What are the key properties of 6-chloro-N-(4-chloro-2-fluorophenyl)-2-propylpyrimidin-4-amine?
6-chloro-N-(4-chloro-2-fluorophenyl)-2-propylpyrimidin-4-amine has a molecular weight of 300.16 g/mol, XLogP of 4.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(4-chloro-2-fluorophenyl)-2-propylpyrimidin-4-amine is sourced from PubChem (CID 80939820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).