4-(2-chloro-6-methoxyphenyl)-6-methoxypyrimidin-2-amine

C12H12ClN3O2 — CID 39819500

IUPAC4-(2-chloro-6-methoxyphenyl)-6-methoxypyrimidin-2-amine
SMILESCOc1cc(-c2c(Cl)cccc2OC)nc(N)n1
InChIInChI=1S/C12H12ClN3O2/c1-17-9-5-3-4-7(13)11(9)8-6-10(18-2)16-12(14)15-8/h3-6H,1-2H3,(H2,14,15,16)
InChIKeyVDASXDRZMYHEDQ-UHFFFAOYSA-N
MW265.70 g/mol
LogP2.40
Rot. Bonds3

About 4-(2-chloro-6-methoxyphenyl)-6-methoxypyrimidin-2-amine

4-(2-chloro-6-methoxyphenyl)-6-methoxypyrimidin-2-amine (PubChem CID 39819500) has the molecular formula C12H12ClN3O2 and a molecular weight of 265.70 g/mol. Its IUPAC name is 4-(2-chloro-6-methoxyphenyl)-6-methoxypyrimidin-2-amine.

Molecular Properties

Compound Name4-(2-chloro-6-methoxyphenyl)-6-methoxypyrimidin-2-amine
PubChem CID39819500
Molecular FormulaC12H12ClN3O2
Molecular Weight265.70 g/mol
Exact Mass265.06
IUPAC Name4-(2-chloro-6-methoxyphenyl)-6-methoxypyrimidin-2-amine
SMILESCOc1cc(-c2c(Cl)cccc2OC)nc(N)n1
InChIInChI=1S/C12H12ClN3O2/c1-17-9-5-3-4-7(13)11(9)8-6-10(18-2)16-12(14)15-8/h3-6H,1-2H3,(H2,14,15,16)
InChIKeyVDASXDRZMYHEDQ-UHFFFAOYSA-N
XLogP2.40
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.70
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-chlorophenoxy)-6-methoxypyrimidin-2-amine
CID 14724259
3-(2-chloro-6-methoxyphenyl)-1-methylpyrazol-5-amine
CID 117348185
4-(2,4-dichlorophenyl)-6-methoxypyrimidin-2-amine
CID 39826310
5-(2-chloro-6-methoxyphenyl)pyrazin-2-amine
CID 39826444
4-methoxy-6-phenylpyrimidin-2-amine
CID 676910
4-(3-chloro-4-fluorophenyl)-6-methoxypyrimidin-2-amine
CID 114052976
4-methoxy-6-(2-methoxy-5-methylphenyl)pyrimidin-2-amine
CID 114052966
4-(2-chloro-6-fluorophenyl)-6-(4-methoxyphenyl)pyrimidin-2-amine
CID 75359612
5-(2-chloro-6-methoxyphenyl)-1H-indazol-3-amine
CID 56709890
3,5-dichloro-6-(2,6-dimethoxyphenyl)pyridin-2-amine
CID 102753973
1-[3-(2-chloro-6-methoxyphenyl)-1,2-oxazol-5-yl]ethanamine
CID 114420281
2-chlorobenzoic acid;4,6-dimethoxypyrimidin-2-amine
CID 139146085

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-6-methoxyphenyl)-6-methoxypyrimidin-2-amine?
The IUPAC name of 4-(2-chloro-6-methoxyphenyl)-6-methoxypyrimidin-2-amine (CID 39819500) is 4-(2-chloro-6-methoxyphenyl)-6-methoxypyrimidin-2-amine.
What is the SMILES notation for 4-(2-chloro-6-methoxyphenyl)-6-methoxypyrimidin-2-amine?
The canonical SMILES for 4-(2-chloro-6-methoxyphenyl)-6-methoxypyrimidin-2-amine is COc1cc(-c2c(Cl)cccc2OC)nc(N)n1.
What is the InChIKey of 4-(2-chloro-6-methoxyphenyl)-6-methoxypyrimidin-2-amine?
The InChIKey is VDASXDRZMYHEDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O2/c1-17-9-5-3-4-7(13)11(9)8-6-10(18-2)16-12(14)15-8/h3-6H,1-2H3,(H2,14,15,16).
What are the key properties of 4-(2-chloro-6-methoxyphenyl)-6-methoxypyrimidin-2-amine?
4-(2-chloro-6-methoxyphenyl)-6-methoxypyrimidin-2-amine has a molecular weight of 265.70 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-6-methoxyphenyl)-6-methoxypyrimidin-2-amine is sourced from PubChem (CID 39819500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).