4-[(4-chlorophenyl)methoxy]-N-methylpyrimidin-2-amine

C12H12ClN3O — CID 80877014

IUPAC4-[(4-chlorophenyl)methoxy]-N-methylpyrimidin-2-amine
SMILESCNc1nccc(OCc2ccc(Cl)cc2)n1
InChIInChI=1S/C12H12ClN3O/c1-14-12-15-7-6-11(16-12)17-8-9-2-4-10(13)5-3-9/h2-7H,8H2,1H3,(H,14,15,16)
InChIKeyVLAVZZNKERUSLB-UHFFFAOYSA-N
MW249.70 g/mol
LogP2.75
Rot. Bonds4

About 4-[(4-chlorophenyl)methoxy]-N-methylpyrimidin-2-amine

4-[(4-chlorophenyl)methoxy]-N-methylpyrimidin-2-amine (PubChem CID 80877014) has the molecular formula C12H12ClN3O and a molecular weight of 249.70 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)methoxy]-N-methylpyrimidin-2-amine.

Molecular Properties

Compound Name4-[(4-chlorophenyl)methoxy]-N-methylpyrimidin-2-amine
PubChem CID80877014
Molecular FormulaC12H12ClN3O
Molecular Weight249.70 g/mol
Exact Mass249.07
IUPAC Name4-[(4-chlorophenyl)methoxy]-N-methylpyrimidin-2-amine
SMILESCNc1nccc(OCc2ccc(Cl)cc2)n1
InChIInChI=1S/C12H12ClN3O/c1-14-12-15-7-6-11(16-12)17-8-9-2-4-10(13)5-3-9/h2-7H,8H2,1H3,(H,14,15,16)
InChIKeyVLAVZZNKERUSLB-UHFFFAOYSA-N
XLogP2.75
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.70
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-fluorophenyl)methoxy]-N-methylpyrimidin-2-amine
CID 80876879
3-[2-(methylamino)pyrimidin-4-yl]oxypropan-1-ol
CID 80865476
4-[(4-methoxyphenyl)methoxy]-N-propylpyrimidin-2-amine
CID 80866869
4-[2-(2-methoxyethoxy)ethoxy]-N-methylpyrimidin-2-amine
CID 104568221
N-[[3-chloro-6-[(4-chlorophenyl)methoxy]-2-pyridinyl]methyl]ethanamine
CID 65125443
N-methyl-4-[2-(2-methylpropoxy)ethoxy]pyrimidin-2-amine
CID 106451393
[3-chloro-6-[(4-chlorophenyl)methoxy]-2-pyridinyl]methanol
CID 65126484
4-(4-ethoxyphenoxy)-N-methylpyrimidin-2-amine
CID 80862377
N-[[6-[(4-chlorophenyl)methoxy]-3-pyridinyl]methyl]ethanamine
CID 65125152
4-(4-fluorophenoxy)-N-methylpyrimidin-2-amine
CID 80869601
(2R)-3-methyl-2-[(4-phenylmethoxypyrimidin-2-yl)amino]butanoic acid
CID 122050790
4-[2-(4-chlorophenyl)-1,3-thiazol-5-yl]-N-methylpyrimidin-2-amine
CID 91664233

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenyl)methoxy]-N-methylpyrimidin-2-amine?
The IUPAC name of 4-[(4-chlorophenyl)methoxy]-N-methylpyrimidin-2-amine (CID 80877014) is 4-[(4-chlorophenyl)methoxy]-N-methylpyrimidin-2-amine.
What is the SMILES notation for 4-[(4-chlorophenyl)methoxy]-N-methylpyrimidin-2-amine?
The canonical SMILES for 4-[(4-chlorophenyl)methoxy]-N-methylpyrimidin-2-amine is CNc1nccc(OCc2ccc(Cl)cc2)n1.
What is the InChIKey of 4-[(4-chlorophenyl)methoxy]-N-methylpyrimidin-2-amine?
The InChIKey is VLAVZZNKERUSLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O/c1-14-12-15-7-6-11(16-12)17-8-9-2-4-10(13)5-3-9/h2-7H,8H2,1H3,(H,14,15,16).
What are the key properties of 4-[(4-chlorophenyl)methoxy]-N-methylpyrimidin-2-amine?
4-[(4-chlorophenyl)methoxy]-N-methylpyrimidin-2-amine has a molecular weight of 249.70 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenyl)methoxy]-N-methylpyrimidin-2-amine is sourced from PubChem (CID 80877014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).