6-[(3-chlorophenyl)methoxy]-2-ethylpyrimidin-4-amine

C13H14ClN3O — CID 80942588

IUPAC6-[(3-chlorophenyl)methoxy]-2-ethylpyrimidin-4-amine
SMILESCCc1nc(N)cc(OCc2cccc(Cl)c2)n1
InChIInChI=1S/C13H14ClN3O/c1-2-12-16-11(15)7-13(17-12)18-8-9-4-3-5-10(14)6-9/h3-7H,2,8H2,1H3,(H2,15,16,17)
InChIKeyVJSPGJAKOIVNKS-UHFFFAOYSA-N
MW263.73 g/mol
LogP2.85
Rot. Bonds4

About 6-[(3-chlorophenyl)methoxy]-2-ethylpyrimidin-4-amine

6-[(3-chlorophenyl)methoxy]-2-ethylpyrimidin-4-amine (PubChem CID 80942588) has the molecular formula C13H14ClN3O and a molecular weight of 263.73 g/mol. Its IUPAC name is 6-[(3-chlorophenyl)methoxy]-2-ethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-[(3-chlorophenyl)methoxy]-2-ethylpyrimidin-4-amine
PubChem CID80942588
Molecular FormulaC13H14ClN3O
Molecular Weight263.73 g/mol
Exact Mass263.08
IUPAC Name6-[(3-chlorophenyl)methoxy]-2-ethylpyrimidin-4-amine
SMILESCCc1nc(N)cc(OCc2cccc(Cl)c2)n1
InChIInChI=1S/C13H14ClN3O/c1-2-12-16-11(15)7-13(17-12)18-8-9-4-3-5-10(14)6-9/h3-7H,2,8H2,1H3,(H2,15,16,17)
InChIKeyVJSPGJAKOIVNKS-UHFFFAOYSA-N
XLogP2.85
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.73
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-[(3-chlorophenyl)methoxy]-2-ethylpyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[(4-chlorophenyl)methoxy]-2-ethylpyrimidin-4-amine
CID 80941277
6-[(3-chlorophenyl)methoxy]-2-propan-2-ylpyrimidin-4-amine
CID 80963380
2-chloro-4-[(3-chlorophenyl)methoxy]-6-methylpyrimidine
CID 65124564
2-ethyl-6-[3-(methoxymethyl)phenoxy]pyrimidin-4-amine
CID 80941964
5-chloro-2-[(3-chlorophenyl)methoxy]pyridine
CID 66232556
1-[3-chloro-6-[(3-chlorophenyl)methoxy]-2-pyridinyl]-N-methylmethanamine
CID 65125729
2-[(3-chlorophenyl)methoxy]pyrimidin-5-amine
CID 65127178
2-[2-(3-chlorophenyl)ethyl]-6-methylpyrimidin-4-amine
CID 82296139
1-chloro-3-[(4-methoxyphenoxy)methyl]benzene
CID 112788879
6-[(3-methoxyphenyl)methoxy]-2-(trifluoromethyl)pyrimidin-4-amine
CID 106773577
2-chloro-4-[(3-chlorophenyl)methoxy]pyrimidin-5-amine
CID 114044146
4-chloro-6-[(3-methoxyphenyl)methoxy]pyrimidin-2-amine
CID 80740138

Frequently Asked Questions

What is the IUPAC name of 6-[(3-chlorophenyl)methoxy]-2-ethylpyrimidin-4-amine?
The IUPAC name of 6-[(3-chlorophenyl)methoxy]-2-ethylpyrimidin-4-amine (CID 80942588) is 6-[(3-chlorophenyl)methoxy]-2-ethylpyrimidin-4-amine.
What is the SMILES notation for 6-[(3-chlorophenyl)methoxy]-2-ethylpyrimidin-4-amine?
The canonical SMILES for 6-[(3-chlorophenyl)methoxy]-2-ethylpyrimidin-4-amine is CCc1nc(N)cc(OCc2cccc(Cl)c2)n1.
What is the InChIKey of 6-[(3-chlorophenyl)methoxy]-2-ethylpyrimidin-4-amine?
The InChIKey is VJSPGJAKOIVNKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O/c1-2-12-16-11(15)7-13(17-12)18-8-9-4-3-5-10(14)6-9/h3-7H,2,8H2,1H3,(H2,15,16,17).
What are the key properties of 6-[(3-chlorophenyl)methoxy]-2-ethylpyrimidin-4-amine?
6-[(3-chlorophenyl)methoxy]-2-ethylpyrimidin-4-amine has a molecular weight of 263.73 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-chlorophenyl)methoxy]-2-ethylpyrimidin-4-amine is sourced from PubChem (CID 80942588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).