2-chloro-N-(4-ethoxy-3-fluorophenyl)pyrimidin-4-amine

C12H11ClFN3O — CID 112699315

IUPAC2-chloro-N-(4-ethoxy-3-fluorophenyl)pyrimidin-4-amine
SMILESCCOc1ccc(Nc2ccnc(Cl)n2)cc1F
InChIInChI=1S/C12H11ClFN3O/c1-2-18-10-4-3-8(7-9(10)14)16-11-5-6-15-12(13)17-11/h3-7H,2H2,1H3,(H,15,16,17)
InChIKeySFMHKBDTDAGCGB-UHFFFAOYSA-N
MW267.69 g/mol
LogP3.41
Rot. Bonds4

About 2-chloro-N-(4-ethoxy-3-fluorophenyl)pyrimidin-4-amine

2-chloro-N-(4-ethoxy-3-fluorophenyl)pyrimidin-4-amine (PubChem CID 112699315) has the molecular formula C12H11ClFN3O and a molecular weight of 267.69 g/mol. Its IUPAC name is 2-chloro-N-(4-ethoxy-3-fluorophenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-(4-ethoxy-3-fluorophenyl)pyrimidin-4-amine
PubChem CID112699315
Molecular FormulaC12H11ClFN3O
Molecular Weight267.69 g/mol
Exact Mass267.06
IUPAC Name2-chloro-N-(4-ethoxy-3-fluorophenyl)pyrimidin-4-amine
SMILESCCOc1ccc(Nc2ccnc(Cl)n2)cc1F
InChIInChI=1S/C12H11ClFN3O/c1-2-18-10-4-3-8(7-9(10)14)16-11-5-6-15-12(13)17-11/h3-7H,2H2,1H3,(H,15,16,17)
InChIKeySFMHKBDTDAGCGB-UHFFFAOYSA-N
XLogP3.41
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.69
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4,6-dichloro-N-(4-ethoxy-3-fluorophenyl)-1,3,5-triazin-2-amine
CID 113399790
6-bromo-N-(4-ethoxy-3-fluorophenyl)pyridin-2-amine
CID 113399791
2-chloro-N-(4-fluoro-3-methylphenyl)pyrimidin-4-amine
CID 59828373
2-chloro-N-(3,4,5-trifluorophenyl)pyrimidin-4-amine
CID 62814283
N-(chloromethyl)-4-ethoxy-3-fluoroaniline
CID 115262696
N-(2-chloroethyl)-4-ethoxy-3-fluoroaniline
CID 115214595
3-bromo-N-(4-ethoxy-3-fluorophenyl)-4-methylpyridin-2-amine
CID 106877436
4-ethoxy-3-fluoro-N-methylaniline
CID 68516738
4-ethoxy-N-ethyl-3-fluoroaniline
CID 82490729
5-N-(4-ethoxy-3-fluorophenyl)pyridine-2,5-diamine
CID 113399696
2-chloro-N-(4-methylsulfanylphenyl)pyrimidin-4-amine
CID 62336213
N-(4-ethoxy-3-fluorophenyl)-1-propan-2-ylimidazol-2-amine
CID 106579930

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-ethoxy-3-fluorophenyl)pyrimidin-4-amine?
The IUPAC name of 2-chloro-N-(4-ethoxy-3-fluorophenyl)pyrimidin-4-amine (CID 112699315) is 2-chloro-N-(4-ethoxy-3-fluorophenyl)pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-(4-ethoxy-3-fluorophenyl)pyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-(4-ethoxy-3-fluorophenyl)pyrimidin-4-amine is CCOc1ccc(Nc2ccnc(Cl)n2)cc1F.
What is the InChIKey of 2-chloro-N-(4-ethoxy-3-fluorophenyl)pyrimidin-4-amine?
The InChIKey is SFMHKBDTDAGCGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClFN3O/c1-2-18-10-4-3-8(7-9(10)14)16-11-5-6-15-12(13)17-11/h3-7H,2H2,1H3,(H,15,16,17).
What are the key properties of 2-chloro-N-(4-ethoxy-3-fluorophenyl)pyrimidin-4-amine?
2-chloro-N-(4-ethoxy-3-fluorophenyl)pyrimidin-4-amine has a molecular weight of 267.69 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-ethoxy-3-fluorophenyl)pyrimidin-4-amine is sourced from PubChem (CID 112699315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).