4-chloro-6-(2,6-dimethoxyphenyl)pyrimidin-2-amine

C12H12ClN3O2 — CID 46914441

IUPAC4-chloro-6-(2,6-dimethoxyphenyl)pyrimidin-2-amine
SMILESCOc1cccc(OC)c1-c1cc(Cl)nc(N)n1
InChIInChI=1S/C12H12ClN3O2/c1-17-8-4-3-5-9(18-2)11(8)7-6-10(13)16-12(14)15-7/h3-6H,1-2H3,(H2,14,15,16)
InChIKeyMRXOYBJVLMUPHF-UHFFFAOYSA-N
MW265.70 g/mol
LogP2.40
Rot. Bonds3

About 4-chloro-6-(2,6-dimethoxyphenyl)pyrimidin-2-amine

4-chloro-6-(2,6-dimethoxyphenyl)pyrimidin-2-amine (PubChem CID 46914441) has the molecular formula C12H12ClN3O2 and a molecular weight of 265.70 g/mol. Its IUPAC name is 4-chloro-6-(2,6-dimethoxyphenyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-chloro-6-(2,6-dimethoxyphenyl)pyrimidin-2-amine
PubChem CID46914441
Molecular FormulaC12H12ClN3O2
Molecular Weight265.70 g/mol
Exact Mass265.06
IUPAC Name4-chloro-6-(2,6-dimethoxyphenyl)pyrimidin-2-amine
SMILESCOc1cccc(OC)c1-c1cc(Cl)nc(N)n1
InChIInChI=1S/C12H12ClN3O2/c1-17-8-4-3-5-9(18-2)11(8)7-6-10(13)16-12(14)15-7/h3-6H,1-2H3,(H2,14,15,16)
InChIKeyMRXOYBJVLMUPHF-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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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(2,6-dimethoxyphenyl)pyrimidin-2-amine?
The IUPAC name of 4-chloro-6-(2,6-dimethoxyphenyl)pyrimidin-2-amine (CID 46914441) is 4-chloro-6-(2,6-dimethoxyphenyl)pyrimidin-2-amine.
What is the SMILES notation for 4-chloro-6-(2,6-dimethoxyphenyl)pyrimidin-2-amine?
The canonical SMILES for 4-chloro-6-(2,6-dimethoxyphenyl)pyrimidin-2-amine is COc1cccc(OC)c1-c1cc(Cl)nc(N)n1.
What is the InChIKey of 4-chloro-6-(2,6-dimethoxyphenyl)pyrimidin-2-amine?
The InChIKey is MRXOYBJVLMUPHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O2/c1-17-8-4-3-5-9(18-2)11(8)7-6-10(13)16-12(14)15-7/h3-6H,1-2H3,(H2,14,15,16).
What are the key properties of 4-chloro-6-(2,6-dimethoxyphenyl)pyrimidin-2-amine?
4-chloro-6-(2,6-dimethoxyphenyl)pyrimidin-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-chloro-6-(2,6-dimethoxyphenyl)pyrimidin-2-amine is sourced from PubChem (CID 46914441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).