6-(5-chloro-2-methoxyphenyl)-2-ethyl-N-methylpyrimidin-4-amine

C14H16ClN3O — CID 80935773

IUPAC6-(5-chloro-2-methoxyphenyl)-2-ethyl-N-methylpyrimidin-4-amine
SMILESCCc1nc(NC)cc(-c2cc(Cl)ccc2OC)n1
InChIInChI=1S/C14H16ClN3O/c1-4-13-17-11(8-14(16-2)18-13)10-7-9(15)5-6-12(10)19-3/h5-8H,4H2,1-3H3,(H,16,17,18)
InChIKeySHHUVHIDCKNYKB-UHFFFAOYSA-N
MW277.76 g/mol
LogP3.41
Rot. Bonds4

About 6-(5-chloro-2-methoxyphenyl)-2-ethyl-N-methylpyrimidin-4-amine

6-(5-chloro-2-methoxyphenyl)-2-ethyl-N-methylpyrimidin-4-amine (PubChem CID 80935773) has the molecular formula C14H16ClN3O and a molecular weight of 277.76 g/mol. Its IUPAC name is 6-(5-chloro-2-methoxyphenyl)-2-ethyl-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(5-chloro-2-methoxyphenyl)-2-ethyl-N-methylpyrimidin-4-amine
PubChem CID80935773
Molecular FormulaC14H16ClN3O
Molecular Weight277.76 g/mol
Exact Mass277.10
IUPAC Name6-(5-chloro-2-methoxyphenyl)-2-ethyl-N-methylpyrimidin-4-amine
SMILESCCc1nc(NC)cc(-c2cc(Cl)ccc2OC)n1
InChIInChI=1S/C14H16ClN3O/c1-4-13-17-11(8-14(16-2)18-13)10-7-9(15)5-6-12(10)19-3/h5-8H,4H2,1-3H3,(H,16,17,18)
InChIKeySHHUVHIDCKNYKB-UHFFFAOYSA-N
XLogP3.41
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.76
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(5-chloro-2-methoxyphenyl)-4-N-methylpyrimidine-2,4-diamine
CID 90189267
6-(2,4-dimethoxyphenyl)-2-ethyl-N-methylpyrimidin-4-amine
CID 80935957
6-(4-chloro-2-methoxyphenyl)-4-N-methylpyrimidine-2,4-diamine
CID 174775792
2-ethyl-6-(5-fluoro-2-methoxyphenyl)-N-propylpyrimidin-4-amine
CID 80939031
2-ethyl-6-(2-fluoro-5-methylphenyl)-N-methylpyrimidin-4-amine
CID 80936143
2-ethyl-N-methyl-6-naphthalen-1-ylpyrimidin-4-amine
CID 80936663
6-(2,4-difluorophenyl)-2-ethyl-N-methylpyrimidin-4-amine
CID 80935782
6-(2,6-difluoro-3-methylphenyl)-2-ethyl-N-methylpyrimidin-4-amine
CID 82827615
2-ethyl-6-(3-methoxyphenyl)-N-methylpyrimidin-4-amine
CID 80936313
4-N-(5-chloro-2-fluorophenyl)-2-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 80933034
2-ethyl-4-N-(4-methoxyphenyl)-6-N-methylpyrimidine-4,6-diamine
CID 80933993
2-ethyl-N-methyl-6-(4-methyl-3-pyridinyl)pyrimidin-4-amine
CID 80935966

Frequently Asked Questions

What is the IUPAC name of 6-(5-chloro-2-methoxyphenyl)-2-ethyl-N-methylpyrimidin-4-amine?
The IUPAC name of 6-(5-chloro-2-methoxyphenyl)-2-ethyl-N-methylpyrimidin-4-amine (CID 80935773) is 6-(5-chloro-2-methoxyphenyl)-2-ethyl-N-methylpyrimidin-4-amine.
What is the SMILES notation for 6-(5-chloro-2-methoxyphenyl)-2-ethyl-N-methylpyrimidin-4-amine?
The canonical SMILES for 6-(5-chloro-2-methoxyphenyl)-2-ethyl-N-methylpyrimidin-4-amine is CCc1nc(NC)cc(-c2cc(Cl)ccc2OC)n1.
What is the InChIKey of 6-(5-chloro-2-methoxyphenyl)-2-ethyl-N-methylpyrimidin-4-amine?
The InChIKey is SHHUVHIDCKNYKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O/c1-4-13-17-11(8-14(16-2)18-13)10-7-9(15)5-6-12(10)19-3/h5-8H,4H2,1-3H3,(H,16,17,18).
What are the key properties of 6-(5-chloro-2-methoxyphenyl)-2-ethyl-N-methylpyrimidin-4-amine?
6-(5-chloro-2-methoxyphenyl)-2-ethyl-N-methylpyrimidin-4-amine has a molecular weight of 277.76 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-chloro-2-methoxyphenyl)-2-ethyl-N-methylpyrimidin-4-amine is sourced from PubChem (CID 80935773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).