6-chloro-N-(5-fluoro-2-methylphenyl)-2-propylpyrimidin-4-amine

C14H15ClFN3 — CID 80938347

IUPAC6-chloro-N-(5-fluoro-2-methylphenyl)-2-propylpyrimidin-4-amine
SMILESCCCc1nc(Cl)cc(Nc2cc(F)ccc2C)n1
InChIInChI=1S/C14H15ClFN3/c1-3-4-13-18-12(15)8-14(19-13)17-11-7-10(16)6-5-9(11)2/h5-8H,3-4H2,1-2H3,(H,17,18,19)
InChIKeyVGQYNTOFLDNAIH-UHFFFAOYSA-N
MW279.75 g/mol
LogP4.27
Rot. Bonds4

About 6-chloro-N-(5-fluoro-2-methylphenyl)-2-propylpyrimidin-4-amine

6-chloro-N-(5-fluoro-2-methylphenyl)-2-propylpyrimidin-4-amine (PubChem CID 80938347) has the molecular formula C14H15ClFN3 and a molecular weight of 279.75 g/mol. Its IUPAC name is 6-chloro-N-(5-fluoro-2-methylphenyl)-2-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(5-fluoro-2-methylphenyl)-2-propylpyrimidin-4-amine
PubChem CID80938347
Molecular FormulaC14H15ClFN3
Molecular Weight279.75 g/mol
Exact Mass279.09
IUPAC Name6-chloro-N-(5-fluoro-2-methylphenyl)-2-propylpyrimidin-4-amine
SMILESCCCc1nc(Cl)cc(Nc2cc(F)ccc2C)n1
InChIInChI=1S/C14H15ClFN3/c1-3-4-13-18-12(15)8-14(19-13)17-11-7-10(16)6-5-9(11)2/h5-8H,3-4H2,1-2H3,(H,17,18,19)
InChIKeyVGQYNTOFLDNAIH-UHFFFAOYSA-N
XLogP4.27
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.75
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-N-(4-chloro-2-fluorophenyl)-2-propylpyrimidin-4-amine
CID 80939820
6-N-ethyl-4-N-(4-fluoro-2-methylphenyl)-2-propylpyrimidine-4,6-diamine
CID 80939622
6-chloro-N-(2-propan-2-ylphenyl)-2-propylpyrimidin-4-amine
CID 80939396
N-(2-bromo-4-fluorophenyl)-6-chloro-2-ethylpyrimidin-4-amine
CID 80943383
6-chloro-N-(2-chloro-5-fluorophenyl)-2-(methoxymethyl)pyrimidin-4-amine
CID 107530548
4-N-(4-fluoro-2-iodophenyl)-6-N-methyl-2-propylpyrimidine-4,6-diamine
CID 80949746
6-chloro-N-(4-methylsulfanylphenyl)-2-propylpyrimidin-4-amine
CID 80939171
N-(2-bromo-6-chloro-4-fluorophenyl)-6-chloro-2-propylpyrimidin-4-amine
CID 107614936
N-(2-bromo-6-fluorophenyl)-6-chloro-2-propylpyrimidin-4-amine
CID 107602346
6-chloro-N-(3-chlorophenyl)-2-propylpyrimidin-4-amine
CID 80938749
6-N-ethyl-4-N-(5-fluoro-2-methylphenyl)-2-propan-2-ylpyrimidine-4,6-diamine
CID 80957160
4-N-(5-chloro-2-fluorophenyl)-6-N-ethyl-2-propylpyrimidine-4,6-diamine
CID 80940121

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(5-fluoro-2-methylphenyl)-2-propylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-(5-fluoro-2-methylphenyl)-2-propylpyrimidin-4-amine (CID 80938347) is 6-chloro-N-(5-fluoro-2-methylphenyl)-2-propylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-(5-fluoro-2-methylphenyl)-2-propylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-(5-fluoro-2-methylphenyl)-2-propylpyrimidin-4-amine is CCCc1nc(Cl)cc(Nc2cc(F)ccc2C)n1.
What is the InChIKey of 6-chloro-N-(5-fluoro-2-methylphenyl)-2-propylpyrimidin-4-amine?
The InChIKey is VGQYNTOFLDNAIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClFN3/c1-3-4-13-18-12(15)8-14(19-13)17-11-7-10(16)6-5-9(11)2/h5-8H,3-4H2,1-2H3,(H,17,18,19).
What are the key properties of 6-chloro-N-(5-fluoro-2-methylphenyl)-2-propylpyrimidin-4-amine?
6-chloro-N-(5-fluoro-2-methylphenyl)-2-propylpyrimidin-4-amine has a molecular weight of 279.75 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(5-fluoro-2-methylphenyl)-2-propylpyrimidin-4-amine is sourced from PubChem (CID 80938347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).