6-chloro-N-ethyl-N-(3-fluorophenyl)-2-methylpyrimidin-4-amine

C13H13ClFN3 — CID 62480942

IUPAC6-chloro-N-ethyl-N-(3-fluorophenyl)-2-methylpyrimidin-4-amine
SMILESCCN(c1cccc(F)c1)c1cc(Cl)nc(C)n1
InChIInChI=1S/C13H13ClFN3/c1-3-18(11-6-4-5-10(15)7-11)13-8-12(14)16-9(2)17-13/h4-8H,3H2,1-2H3
InChIKeyQPUQMVXRGWDWBQ-UHFFFAOYSA-N
MW265.72 g/mol
LogP3.74
Rot. Bonds3

About 6-chloro-N-ethyl-N-(3-fluorophenyl)-2-methylpyrimidin-4-amine

6-chloro-N-ethyl-N-(3-fluorophenyl)-2-methylpyrimidin-4-amine (PubChem CID 62480942) has the molecular formula C13H13ClFN3 and a molecular weight of 265.72 g/mol. Its IUPAC name is 6-chloro-N-ethyl-N-(3-fluorophenyl)-2-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-ethyl-N-(3-fluorophenyl)-2-methylpyrimidin-4-amine
PubChem CID62480942
Molecular FormulaC13H13ClFN3
Molecular Weight265.72 g/mol
Exact Mass265.08
IUPAC Name6-chloro-N-ethyl-N-(3-fluorophenyl)-2-methylpyrimidin-4-amine
SMILESCCN(c1cccc(F)c1)c1cc(Cl)nc(C)n1
InChIInChI=1S/C13H13ClFN3/c1-3-18(11-6-4-5-10(15)7-11)13-8-12(14)16-9(2)17-13/h4-8H,3H2,1-2H3
InChIKeyQPUQMVXRGWDWBQ-UHFFFAOYSA-N
XLogP3.74
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 ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-2-N-ethyl-2-N-(3-fluorophenyl)pyridine-2,3-diamine
CID 115474017
4-chloro-N-ethyl-N-(3-fluorophenyl)-1,3-thiazol-2-amine
CID 83157073
3,5,6-trichloro-N-ethyl-N-(3-fluorophenyl)pyridin-2-amine
CID 102750868
4-N,2-diethyl-4-N-(3-fluorophenyl)-6-N-methylpyrimidine-4,6-diamine
CID 80934393
3-N-ethyl-3-N-(3-fluorophenyl)quinoxaline-2,3-diamine
CID 102985857
3-chloro-4-(N-ethyl-3-fluoroanilino)benzonitrile
CID 63510151
4-(chloromethyl)-N-ethyl-N-(3-fluorophenyl)pyridin-3-amine
CID 105067407
6-(N-ethylanilino)-N-(4-fluorophenyl)-2-methylpyrimidine-4-carboxamide
CID 112849476
4-chloro-2-(N-ethyl-3-fluoroanilino)-1,3-thiazole-5-carbaldehyde
CID 80687160
2-(N-ethyl-3-fluoroanilino)-6-methylpyrimidine-4-carbothioamide
CID 107547162
4-(N-ethyl-3-fluoroanilino)-2,6-dimethylpyridine-3-carbonitrile
CID 81060103
N-ethyl-6-(ethylaminomethyl)-N-(3-fluorophenyl)pyridazin-3-amine
CID 62282854

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-ethyl-N-(3-fluorophenyl)-2-methylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-ethyl-N-(3-fluorophenyl)-2-methylpyrimidin-4-amine (CID 62480942) is 6-chloro-N-ethyl-N-(3-fluorophenyl)-2-methylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-ethyl-N-(3-fluorophenyl)-2-methylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-ethyl-N-(3-fluorophenyl)-2-methylpyrimidin-4-amine is CCN(c1cccc(F)c1)c1cc(Cl)nc(C)n1.
What is the InChIKey of 6-chloro-N-ethyl-N-(3-fluorophenyl)-2-methylpyrimidin-4-amine?
The InChIKey is QPUQMVXRGWDWBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClFN3/c1-3-18(11-6-4-5-10(15)7-11)13-8-12(14)16-9(2)17-13/h4-8H,3H2,1-2H3.
What are the key properties of 6-chloro-N-ethyl-N-(3-fluorophenyl)-2-methylpyrimidin-4-amine?
6-chloro-N-ethyl-N-(3-fluorophenyl)-2-methylpyrimidin-4-amine has a molecular weight of 265.72 g/mol, XLogP of 3.74, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-ethyl-N-(3-fluorophenyl)-2-methylpyrimidin-4-amine is sourced from PubChem (CID 62480942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).