4-(3-chloro-4-methylphenyl)-5-fluoro-N-methylpyrimidin-2-amine

C12H11ClFN3 — CID 113324753

IUPAC4-(3-chloro-4-methylphenyl)-5-fluoro-N-methylpyrimidin-2-amine
SMILESCNc1ncc(F)c(-c2ccc(C)c(Cl)c2)n1
InChIInChI=1S/C12H11ClFN3/c1-7-3-4-8(5-9(7)13)11-10(14)6-16-12(15-2)17-11/h3-6H,1-2H3,(H,15,16,17)
InChIKeyQKWDAWMMVVMULV-UHFFFAOYSA-N
MW251.69 g/mol
LogP3.29
Rot. Bonds2

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

4-(3-chloro-4-methylphenyl)-5-fluoro-N-methylpyrimidin-2-amine (PubChem CID 113324753) has the molecular formula C12H11ClFN3 and a molecular weight of 251.69 g/mol. Its IUPAC name is 4-(3-chloro-4-methylphenyl)-5-fluoro-N-methylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(3-chloro-4-methylphenyl)-5-fluoro-N-methylpyrimidin-2-amine
PubChem CID113324753
Molecular FormulaC12H11ClFN3
Molecular Weight251.69 g/mol
Exact Mass251.06
IUPAC Name4-(3-chloro-4-methylphenyl)-5-fluoro-N-methylpyrimidin-2-amine
SMILESCNc1ncc(F)c(-c2ccc(C)c(Cl)c2)n1
InChIInChI=1S/C12H11ClFN3/c1-7-3-4-8(5-9(7)13)11-10(14)6-16-12(15-2)17-11/h3-6H,1-2H3,(H,15,16,17)
InChIKeyQKWDAWMMVVMULV-UHFFFAOYSA-N
XLogP3.29
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.69
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-fluorophenyl)-N,5-dimethylpyrimidin-2-amine
CID 63548241
2-chloro-4-(3-chloro-4-fluorophenyl)-5-fluoropyrimidine
CID 86219997
4-(2,5-dimethylphenyl)sulfanyl-5-fluoro-N-methylpyrimidin-2-amine
CID 80893618
4-(5-fluoro-2-pyridinyl)-N,5-dimethylpyrimidin-2-amine
CID 112586479
3-(3-chloro-4-fluorophenyl)-N,5,6-trimethylpyrazin-2-amine
CID 113324801
2-chloro-4-(4-chloro-2-methylphenyl)-1-methylbenzene
CID 70919846
4-N-(4-chloro-2-fluorophenyl)-2-N,5-dimethylpyrimidine-2,4-diamine
CID 80800229
N-ethyl-5-fluoro-4-(2-methyl-4-pyridinyl)pyrimidin-2-amine
CID 113482956
4-[(3-chloro-2-pyridinyl)sulfanyl]-5-fluoro-N-methylpyrimidin-2-amine
CID 80891170
4-(3-chloro-4-fluorophenoxy)-5-fluoro-N-methylpyrimidin-2-amine
CID 80876211
4,6-dichloro-2-(3-chloro-4-methylphenyl)-5-fluoropyrimidine
CID 106818033
5-chloro-4-N-(2-fluoro-5-methylphenyl)-2-N-methylpyrimidine-2,4-diamine
CID 80755789

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-4-methylphenyl)-5-fluoro-N-methylpyrimidin-2-amine?
The IUPAC name of 4-(3-chloro-4-methylphenyl)-5-fluoro-N-methylpyrimidin-2-amine (CID 113324753) is 4-(3-chloro-4-methylphenyl)-5-fluoro-N-methylpyrimidin-2-amine.
What is the SMILES notation for 4-(3-chloro-4-methylphenyl)-5-fluoro-N-methylpyrimidin-2-amine?
The canonical SMILES for 4-(3-chloro-4-methylphenyl)-5-fluoro-N-methylpyrimidin-2-amine is CNc1ncc(F)c(-c2ccc(C)c(Cl)c2)n1.
What is the InChIKey of 4-(3-chloro-4-methylphenyl)-5-fluoro-N-methylpyrimidin-2-amine?
The InChIKey is QKWDAWMMVVMULV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClFN3/c1-7-3-4-8(5-9(7)13)11-10(14)6-16-12(15-2)17-11/h3-6H,1-2H3,(H,15,16,17).
What are the key properties of 4-(3-chloro-4-methylphenyl)-5-fluoro-N-methylpyrimidin-2-amine?
4-(3-chloro-4-methylphenyl)-5-fluoro-N-methylpyrimidin-2-amine has a molecular weight of 251.69 g/mol, XLogP of 3.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-4-methylphenyl)-5-fluoro-N-methylpyrimidin-2-amine is sourced from PubChem (CID 113324753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).