2-(3-chloro-4-methoxyphenyl)-6-ethyl-N,5-dimethylpyrimidin-4-amine

C15H18ClN3O — CID 65022448

IUPAC2-(3-chloro-4-methoxyphenyl)-6-ethyl-N,5-dimethylpyrimidin-4-amine
SMILESCCc1nc(-c2ccc(OC)c(Cl)c2)nc(NC)c1C
InChIInChI=1S/C15H18ClN3O/c1-5-12-9(2)14(17-3)19-15(18-12)10-6-7-13(20-4)11(16)8-10/h6-8H,5H2,1-4H3,(H,17,18,19)
InChIKeyIQNAUUHJUPPSSU-UHFFFAOYSA-N
MW291.78 g/mol
LogP3.72
Rot. Bonds4

About 2-(3-chloro-4-methoxyphenyl)-6-ethyl-N,5-dimethylpyrimidin-4-amine

2-(3-chloro-4-methoxyphenyl)-6-ethyl-N,5-dimethylpyrimidin-4-amine (PubChem CID 65022448) has the molecular formula C15H18ClN3O and a molecular weight of 291.78 g/mol. Its IUPAC name is 2-(3-chloro-4-methoxyphenyl)-6-ethyl-N,5-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(3-chloro-4-methoxyphenyl)-6-ethyl-N,5-dimethylpyrimidin-4-amine
PubChem CID65022448
Molecular FormulaC15H18ClN3O
Molecular Weight291.78 g/mol
Exact Mass291.11
IUPAC Name2-(3-chloro-4-methoxyphenyl)-6-ethyl-N,5-dimethylpyrimidin-4-amine
SMILESCCc1nc(-c2ccc(OC)c(Cl)c2)nc(NC)c1C
InChIInChI=1S/C15H18ClN3O/c1-5-12-9(2)14(17-3)19-15(18-12)10-6-7-13(20-4)11(16)8-10/h6-8H,5H2,1-4H3,(H,17,18,19)
InChIKeyIQNAUUHJUPPSSU-UHFFFAOYSA-N
XLogP3.72
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-methoxyphenyl)-6-ethyl-N,5-dimethylpyrimidin-4-amine?
The IUPAC name of 2-(3-chloro-4-methoxyphenyl)-6-ethyl-N,5-dimethylpyrimidin-4-amine (CID 65022448) is 2-(3-chloro-4-methoxyphenyl)-6-ethyl-N,5-dimethylpyrimidin-4-amine.
What is the SMILES notation for 2-(3-chloro-4-methoxyphenyl)-6-ethyl-N,5-dimethylpyrimidin-4-amine?
The canonical SMILES for 2-(3-chloro-4-methoxyphenyl)-6-ethyl-N,5-dimethylpyrimidin-4-amine is CCc1nc(-c2ccc(OC)c(Cl)c2)nc(NC)c1C.
What is the InChIKey of 2-(3-chloro-4-methoxyphenyl)-6-ethyl-N,5-dimethylpyrimidin-4-amine?
The InChIKey is IQNAUUHJUPPSSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O/c1-5-12-9(2)14(17-3)19-15(18-12)10-6-7-13(20-4)11(16)8-10/h6-8H,5H2,1-4H3,(H,17,18,19).
What are the key properties of 2-(3-chloro-4-methoxyphenyl)-6-ethyl-N,5-dimethylpyrimidin-4-amine?
2-(3-chloro-4-methoxyphenyl)-6-ethyl-N,5-dimethylpyrimidin-4-amine has a molecular weight of 291.78 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-methoxyphenyl)-6-ethyl-N,5-dimethylpyrimidin-4-amine is sourced from PubChem (CID 65022448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).