2-(3-chloro-5-fluorophenyl)-N-methyl-6-propylpyrimidin-4-amine

C14H15ClFN3 — CID 114454521

IUPAC2-(3-chloro-5-fluorophenyl)-N-methyl-6-propylpyrimidin-4-amine
SMILESCCCc1cc(NC)nc(-c2cc(F)cc(Cl)c2)n1
InChIInChI=1S/C14H15ClFN3/c1-3-4-12-8-13(17-2)19-14(18-12)9-5-10(15)7-11(16)6-9/h5-8H,3-4H2,1-2H3,(H,17,18,19)
InChIKeyIOGZAHSJJMTNAB-UHFFFAOYSA-N
MW279.75 g/mol
LogP3.93
Rot. Bonds4

About 2-(3-chloro-5-fluorophenyl)-N-methyl-6-propylpyrimidin-4-amine

2-(3-chloro-5-fluorophenyl)-N-methyl-6-propylpyrimidin-4-amine (PubChem CID 114454521) has the molecular formula C14H15ClFN3 and a molecular weight of 279.75 g/mol. Its IUPAC name is 2-(3-chloro-5-fluorophenyl)-N-methyl-6-propylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(3-chloro-5-fluorophenyl)-N-methyl-6-propylpyrimidin-4-amine
PubChem CID114454521
Molecular FormulaC14H15ClFN3
Molecular Weight279.75 g/mol
Exact Mass279.09
IUPAC Name2-(3-chloro-5-fluorophenyl)-N-methyl-6-propylpyrimidin-4-amine
SMILESCCCc1cc(NC)nc(-c2cc(F)cc(Cl)c2)n1
InChIInChI=1S/C14H15ClFN3/c1-3-4-12-8-13(17-2)19-14(18-12)9-5-10(15)7-11(16)6-9/h5-8H,3-4H2,1-2H3,(H,17,18,19)
InChIKeyIOGZAHSJJMTNAB-UHFFFAOYSA-N
XLogP3.93
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 ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-fluorophenyl)-N-methyl-6-propylpyrimidin-4-amine
CID 62191788
2-(3-chloro-4-fluorophenyl)-N-methyl-6-propylpyrimidin-4-amine
CID 63484860
2-(4-bromo-3,5-dimethylphenyl)-N-methyl-6-propylpyrimidin-4-amine
CID 114330950
2-(2,4-dichlorophenyl)-N-methyl-6-propylpyrimidin-4-amine
CID 63480481
N-methyl-6-propyl-2-pyridin-3-ylpyrimidin-4-amine
CID 62191790
2-(3-chloro-5-fluorophenyl)-N-ethylpyrimidin-4-amine
CID 114454535
2-(2-bromo-3,4-difluorophenyl)-N-methyl-6-propylpyrimidin-4-amine
CID 107539712
2-(5-chloro-1,3-thiazol-2-yl)-N-methyl-6-propylpyrimidin-4-amine
CID 107125280
4,6-dichloro-2-(3-chloro-5-fluorophenyl)-5-ethylpyrimidine
CID 114453923
2-(7-bromo-1,3-benzodioxol-5-yl)-N-methyl-6-propylpyrimidin-4-amine
CID 63479650
N-ethyl-2-(3-fluoro-4-methylphenyl)-6-propylpyrimidin-4-amine
CID 63486628
2-(3-chloro-4-fluorophenyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine
CID 63087865

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-5-fluorophenyl)-N-methyl-6-propylpyrimidin-4-amine?
The IUPAC name of 2-(3-chloro-5-fluorophenyl)-N-methyl-6-propylpyrimidin-4-amine (CID 114454521) is 2-(3-chloro-5-fluorophenyl)-N-methyl-6-propylpyrimidin-4-amine.
What is the SMILES notation for 2-(3-chloro-5-fluorophenyl)-N-methyl-6-propylpyrimidin-4-amine?
The canonical SMILES for 2-(3-chloro-5-fluorophenyl)-N-methyl-6-propylpyrimidin-4-amine is CCCc1cc(NC)nc(-c2cc(F)cc(Cl)c2)n1.
What is the InChIKey of 2-(3-chloro-5-fluorophenyl)-N-methyl-6-propylpyrimidin-4-amine?
The InChIKey is IOGZAHSJJMTNAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClFN3/c1-3-4-12-8-13(17-2)19-14(18-12)9-5-10(15)7-11(16)6-9/h5-8H,3-4H2,1-2H3,(H,17,18,19).
What are the key properties of 2-(3-chloro-5-fluorophenyl)-N-methyl-6-propylpyrimidin-4-amine?
2-(3-chloro-5-fluorophenyl)-N-methyl-6-propylpyrimidin-4-amine has a molecular weight of 279.75 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-5-fluorophenyl)-N-methyl-6-propylpyrimidin-4-amine is sourced from PubChem (CID 114454521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).