N-(3-chloro-4-fluorophenyl)-5-methylpyrimidin-2-amine

C11H9ClFN3 — CID 63208281

IUPACN-(3-chloro-4-fluorophenyl)-5-methylpyrimidin-2-amine
SMILESCc1cnc(Nc2ccc(F)c(Cl)c2)nc1
InChIInChI=1S/C11H9ClFN3/c1-7-5-14-11(15-6-7)16-8-2-3-10(13)9(12)4-8/h2-6H,1H3,(H,14,15,16)
InChIKeyIZWSJFSBYYJHKJ-UHFFFAOYSA-N
MW237.67 g/mol
LogP3.32
Rot. Bonds2

About N-(3-chloro-4-fluorophenyl)-5-methylpyrimidin-2-amine

N-(3-chloro-4-fluorophenyl)-5-methylpyrimidin-2-amine (PubChem CID 63208281) has the molecular formula C11H9ClFN3 and a molecular weight of 237.67 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-5-methylpyrimidin-2-amine.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-5-methylpyrimidin-2-amine
PubChem CID63208281
Molecular FormulaC11H9ClFN3
Molecular Weight237.67 g/mol
Exact Mass237.05
IUPAC NameN-(3-chloro-4-fluorophenyl)-5-methylpyrimidin-2-amine
SMILESCc1cnc(Nc2ccc(F)c(Cl)c2)nc1
InChIInChI=1S/C11H9ClFN3/c1-7-5-14-11(15-6-7)16-8-2-3-10(13)9(12)4-8/h2-6H,1H3,(H,14,15,16)
InChIKeyIZWSJFSBYYJHKJ-UHFFFAOYSA-N
XLogP3.32
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.67
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chloro-4-fluoroanilino)-N-(3-chloro-4-methylphenyl)pyrimidine-5-carboxamide
CID 109269145
N-(3-chloro-4-fluorophenyl)-2-(3-chloro-4-methylanilino)pyrimidine-5-carboxamide
CID 109269179
N-(3-chloro-4-fluorophenyl)-2-(3,5-dimethylanilino)pyrimidine-5-carboxamide
CID 109266931
N-tert-butyl-2-(3-chloro-4-fluoroanilino)pyrimidine-5-carboxamide
CID 109262883
N-butyl-2-(3-chloro-4-fluoroanilino)pyrimidine-5-carboxamide
CID 109248164
2-(3-chloro-4-fluoroanilino)-N-(4-chloro-2-methylphenyl)pyrimidine-5-carboxamide
CID 109269075
2-(3-chloro-4-fluoroanilino)-N-(2-methylphenyl)pyrimidine-5-carboxamide
CID 109265311
1-[4-[2-(3-chloro-4-fluoroanilino)pyrimidine-5-carbonyl]piperazin-1-yl]ethanone
CID 109254688
N-(3-chloro-4-fluorophenyl)-7-methylpurin-2-amine
CID 167986934
2-(4-acetamidoanilino)-N-(3-chloro-4-fluorophenyl)pyrimidine-5-carboxamide
CID 109269223
N-(3-chloro-4-fluorophenyl)-4,6-dimethoxy-1,3,5-triazin-2-amine
CID 62861592
3-N-(3-chloro-4-fluorophenyl)-5-N-(2,4,6-trimethylphenyl)-1,2,4-triazine-3,5-diamine
CID 112964904

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-5-methylpyrimidin-2-amine?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-5-methylpyrimidin-2-amine (CID 63208281) is N-(3-chloro-4-fluorophenyl)-5-methylpyrimidin-2-amine.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-5-methylpyrimidin-2-amine?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-5-methylpyrimidin-2-amine is Cc1cnc(Nc2ccc(F)c(Cl)c2)nc1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-5-methylpyrimidin-2-amine?
The InChIKey is IZWSJFSBYYJHKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClFN3/c1-7-5-14-11(15-6-7)16-8-2-3-10(13)9(12)4-8/h2-6H,1H3,(H,14,15,16).
What are the key properties of N-(3-chloro-4-fluorophenyl)-5-methylpyrimidin-2-amine?
N-(3-chloro-4-fluorophenyl)-5-methylpyrimidin-2-amine has a molecular weight of 237.67 g/mol, XLogP of 3.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-5-methylpyrimidin-2-amine is sourced from PubChem (CID 63208281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).