2-chloro-N-[(3-fluorophenyl)methyl]-N,6-dimethylpyrimidin-4-amine

C13H13ClFN3 — CID 62477954

IUPAC2-chloro-N-[(3-fluorophenyl)methyl]-N,6-dimethylpyrimidin-4-amine
SMILESCc1cc(N(C)Cc2cccc(F)c2)nc(Cl)n1
InChIInChI=1S/C13H13ClFN3/c1-9-6-12(17-13(14)16-9)18(2)8-10-4-3-5-11(15)7-10/h3-7H,8H2,1-2H3
InChIKeyRIULVGJCMHMTRN-UHFFFAOYSA-N
MW265.72 g/mol
LogP3.21
Rot. Bonds3

About 2-chloro-N-[(3-fluorophenyl)methyl]-N,6-dimethylpyrimidin-4-amine

2-chloro-N-[(3-fluorophenyl)methyl]-N,6-dimethylpyrimidin-4-amine (PubChem CID 62477954) has the molecular formula C13H13ClFN3 and a molecular weight of 265.72 g/mol. Its IUPAC name is 2-chloro-N-[(3-fluorophenyl)methyl]-N,6-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-[(3-fluorophenyl)methyl]-N,6-dimethylpyrimidin-4-amine
PubChem CID62477954
Molecular FormulaC13H13ClFN3
Molecular Weight265.72 g/mol
Exact Mass265.08
IUPAC Name2-chloro-N-[(3-fluorophenyl)methyl]-N,6-dimethylpyrimidin-4-amine
SMILESCc1cc(N(C)Cc2cccc(F)c2)nc(Cl)n1
InChIInChI=1S/C13H13ClFN3/c1-9-6-12(17-13(14)16-9)18(2)8-10-4-3-5-11(15)7-10/h3-7H,8H2,1-2H3
InChIKeyRIULVGJCMHMTRN-UHFFFAOYSA-N
XLogP3.21
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.72
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-2-chloro-N,6-dimethylpyrimidin-4-amine
CID 62477780
6-fluoro-N-[(3-fluorophenyl)methyl]-N-methylpyridin-2-amine
CID 61228402
4-N-[(3-fluorophenyl)methyl]-4-N,2-dimethylpyrimidine-4,6-diamine
CID 80765017
2-chloro-N,6-dimethyl-N-[(2-methylphenyl)methyl]pyrimidin-4-amine
CID 62481777
6-chloro-N-[(3-fluorophenyl)methyl]-N,4,5-trimethylpyridazin-3-amine
CID 63271583
2-[(3-fluorophenyl)methyl-methylamino]-4,6-dimethylpyridine-3-carbothioamide
CID 61175772
[5-chloro-2-[(3-fluorophenyl)methyl-methylamino]-4-pyridinyl]methanol
CID 114920211
4-N-[(3-fluorophenyl)methyl]-4-N-methyl-2-propylpyrimidine-4,6-diamine
CID 80945613
2-N-[(3-fluorophenyl)methyl]-2-N-methylpyridine-2,5-diamine
CID 28801852
2-N-[(3-fluorophenyl)methyl]-2-N,4-N,4-N-trimethylpyrimidine-2,4-diamine
CID 133382201
6-[(3-fluorophenyl)methyl-methylamino]pyridine-2-carbothioamide
CID 64589215
6-chloro-2-cyclopropyl-N-[(3-fluorophenyl)methyl]-N,5-dimethylpyrimidin-4-amine
CID 80979874

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(3-fluorophenyl)methyl]-N,6-dimethylpyrimidin-4-amine?
The IUPAC name of 2-chloro-N-[(3-fluorophenyl)methyl]-N,6-dimethylpyrimidin-4-amine (CID 62477954) is 2-chloro-N-[(3-fluorophenyl)methyl]-N,6-dimethylpyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-[(3-fluorophenyl)methyl]-N,6-dimethylpyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-[(3-fluorophenyl)methyl]-N,6-dimethylpyrimidin-4-amine is Cc1cc(N(C)Cc2cccc(F)c2)nc(Cl)n1.
What is the InChIKey of 2-chloro-N-[(3-fluorophenyl)methyl]-N,6-dimethylpyrimidin-4-amine?
The InChIKey is RIULVGJCMHMTRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClFN3/c1-9-6-12(17-13(14)16-9)18(2)8-10-4-3-5-11(15)7-10/h3-7H,8H2,1-2H3.
What are the key properties of 2-chloro-N-[(3-fluorophenyl)methyl]-N,6-dimethylpyrimidin-4-amine?
2-chloro-N-[(3-fluorophenyl)methyl]-N,6-dimethylpyrimidin-4-amine has a molecular weight of 265.72 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(3-fluorophenyl)methyl]-N,6-dimethylpyrimidin-4-amine is sourced from PubChem (CID 62477954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).