[4-[(2-chlorophenyl)methoxy]-2-methylpyrimidin-5-yl]methanamine

C13H14ClN3O — CID 114216987

IUPAC[4-[(2-chlorophenyl)methoxy]-2-methylpyrimidin-5-yl]methanamine
SMILESCc1ncc(CN)c(OCc2ccccc2Cl)n1
InChIInChI=1S/C13H14ClN3O/c1-9-16-7-11(6-15)13(17-9)18-8-10-4-2-3-5-12(10)14/h2-5,7H,6,8,15H2,1H3
InChIKeyXHQIQUNSXPRLSF-UHFFFAOYSA-N
MW263.73 g/mol
LogP2.48
Rot. Bonds4

About [4-[(2-chlorophenyl)methoxy]-2-methylpyrimidin-5-yl]methanamine

[4-[(2-chlorophenyl)methoxy]-2-methylpyrimidin-5-yl]methanamine (PubChem CID 114216987) has the molecular formula C13H14ClN3O and a molecular weight of 263.73 g/mol. Its IUPAC name is [4-[(2-chlorophenyl)methoxy]-2-methylpyrimidin-5-yl]methanamine.

Molecular Properties

Compound Name[4-[(2-chlorophenyl)methoxy]-2-methylpyrimidin-5-yl]methanamine
PubChem CID114216987
Molecular FormulaC13H14ClN3O
Molecular Weight263.73 g/mol
Exact Mass263.08
IUPAC Name[4-[(2-chlorophenyl)methoxy]-2-methylpyrimidin-5-yl]methanamine
SMILESCc1ncc(CN)c(OCc2ccccc2Cl)n1
InChIInChI=1S/C13H14ClN3O/c1-9-16-7-11(6-15)13(17-9)18-8-10-4-2-3-5-12(10)14/h2-5,7H,6,8,15H2,1H3
InChIKeyXHQIQUNSXPRLSF-UHFFFAOYSA-N
XLogP2.48
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 ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-[(2-chlorophenyl)methoxy]-2-methylpyrimidin-5-yl]methanamine 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

[4-[(2-chlorophenyl)methoxy]-6-methyl-3-pyridinyl]methanamine
CID 81253013
5-chloro-4-[(2-chlorophenyl)methoxy]-N-methylpyrimidin-2-amine
CID 80858949
1,4-bis[(2-chlorophenyl)methoxy]benzene
CID 18515510
[1-(2-chlorophenoxy)isoquinolin-4-yl]methanamine
CID 106777391
2-tert-butyl-6-[(2-chlorophenyl)methoxy]-5-methylpyrimidin-4-amine
CID 80988122
4-[(2-chlorophenyl)methoxy]-N-ethyl-5-methylpyrimidin-2-amine
CID 80859211
2-[(2-chlorophenyl)methoxy]-6-methoxypyridin-3-amine
CID 113286658
[4-[(5-chloro-3-pyridinyl)oxy]-2-methylpyrimidin-5-yl]methanamine
CID 114217165
2-[(2-chlorophenyl)methoxy]-4,6-dimethylpyridine-3-carbothioamide
CID 61175190
4-chloro-6-[(2-chlorophenyl)methoxy]-5-methyl-2-propylpyrimidine
CID 80973545
4-[(2-chlorophenyl)methoxy]-5,6-dimethylthieno[2,3-d]pyrimidine
CID 2484158
O-ethyl 4-(2-chlorophenoxy)-2-methylpyrimidine-5-carbothioate
CID 141073188

Frequently Asked Questions

What is the IUPAC name of [4-[(2-chlorophenyl)methoxy]-2-methylpyrimidin-5-yl]methanamine?
The IUPAC name of [4-[(2-chlorophenyl)methoxy]-2-methylpyrimidin-5-yl]methanamine (CID 114216987) is [4-[(2-chlorophenyl)methoxy]-2-methylpyrimidin-5-yl]methanamine.
What is the SMILES notation for [4-[(2-chlorophenyl)methoxy]-2-methylpyrimidin-5-yl]methanamine?
The canonical SMILES for [4-[(2-chlorophenyl)methoxy]-2-methylpyrimidin-5-yl]methanamine is Cc1ncc(CN)c(OCc2ccccc2Cl)n1.
What is the InChIKey of [4-[(2-chlorophenyl)methoxy]-2-methylpyrimidin-5-yl]methanamine?
The InChIKey is XHQIQUNSXPRLSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O/c1-9-16-7-11(6-15)13(17-9)18-8-10-4-2-3-5-12(10)14/h2-5,7H,6,8,15H2,1H3.
What are the key properties of [4-[(2-chlorophenyl)methoxy]-2-methylpyrimidin-5-yl]methanamine?
[4-[(2-chlorophenyl)methoxy]-2-methylpyrimidin-5-yl]methanamine has a molecular weight of 263.73 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-chlorophenyl)methoxy]-2-methylpyrimidin-5-yl]methanamine is sourced from PubChem (CID 114216987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).