5-chloro-N-[(4-methoxy-3-methylphenyl)methyl]-2,6-dimethylpyrimidin-4-amine

C15H18ClN3O — CID 22640045

IUPAC5-chloro-N-[(4-methoxy-3-methylphenyl)methyl]-2,6-dimethylpyrimidin-4-amine
SMILESCOc1ccc(CNc2nc(C)nc(C)c2Cl)cc1C
InChIInChI=1S/C15H18ClN3O/c1-9-7-12(5-6-13(9)20-4)8-17-15-14(16)10(2)18-11(3)19-15/h5-7H,8H2,1-4H3,(H,17,18,19)
InChIKeyJIJGSJSDBCGUPT-UHFFFAOYSA-N
MW291.78 g/mol
LogP3.68
Rot. Bonds4

About 5-chloro-N-[(4-methoxy-3-methylphenyl)methyl]-2,6-dimethylpyrimidin-4-amine

5-chloro-N-[(4-methoxy-3-methylphenyl)methyl]-2,6-dimethylpyrimidin-4-amine (PubChem CID 22640045) has the molecular formula C15H18ClN3O and a molecular weight of 291.78 g/mol. Its IUPAC name is 5-chloro-N-[(4-methoxy-3-methylphenyl)methyl]-2,6-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name5-chloro-N-[(4-methoxy-3-methylphenyl)methyl]-2,6-dimethylpyrimidin-4-amine
PubChem CID22640045
Molecular FormulaC15H18ClN3O
Molecular Weight291.78 g/mol
Exact Mass291.11
IUPAC Name5-chloro-N-[(4-methoxy-3-methylphenyl)methyl]-2,6-dimethylpyrimidin-4-amine
SMILESCOc1ccc(CNc2nc(C)nc(C)c2Cl)cc1C
InChIInChI=1S/C15H18ClN3O/c1-9-7-12(5-6-13(9)20-4)8-17-15-14(16)10(2)18-11(3)19-15/h5-7H,8H2,1-4H3,(H,17,18,19)
InChIKeyJIJGSJSDBCGUPT-UHFFFAOYSA-N
XLogP3.68
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 ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[(5-chloro-2,6-dimethylpyrimidin-4-yl)amino]methyl]-2-prop-2-enoxyphenol
CID 22639995
2-chloro-N-[(4-methoxy-3-methylphenyl)methyl]-4-methylpyridin-3-amine
CID 65484321
2,3,5,6-tetrafluoro-N-[(4-methoxy-3-methylphenyl)methyl]pyridin-4-amine
CID 133372087
N-[(3-chloro-4-methoxyphenyl)methyl]-4-methoxy-3-methylaniline
CID 65021575
(4-methoxy-3-methylphenyl)methylhydrazine
CID 53404033
N-[(4-methoxy-3-methylphenyl)methyl]-1-methylpyrazol-4-amine
CID 43776698
N-[(3,4-dimethoxyphenyl)methyl]-2,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 110430805
4-[(4-methoxy-3-methylphenyl)methylamino]phenol
CID 43790415
4-N-(5-chloro-2-methylphenyl)-6-N-[(3,4-dimethoxyphenyl)methyl]-2-methylpyrimidine-4,6-diamine
CID 112875004
N-[(3-fluoro-4-methoxyphenyl)methyl]-4-methoxy-3-methylaniline
CID 61059639
2,6-dibromo-N-[(4-methoxy-3-methylphenyl)methyl]-4-methylaniline
CID 43773583
3-bromo-5-chloro-2-methoxy-N-[(4-methoxy-3-methylphenyl)methyl]aniline
CID 43782333

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(4-methoxy-3-methylphenyl)methyl]-2,6-dimethylpyrimidin-4-amine?
The IUPAC name of 5-chloro-N-[(4-methoxy-3-methylphenyl)methyl]-2,6-dimethylpyrimidin-4-amine (CID 22640045) is 5-chloro-N-[(4-methoxy-3-methylphenyl)methyl]-2,6-dimethylpyrimidin-4-amine.
What is the SMILES notation for 5-chloro-N-[(4-methoxy-3-methylphenyl)methyl]-2,6-dimethylpyrimidin-4-amine?
The canonical SMILES for 5-chloro-N-[(4-methoxy-3-methylphenyl)methyl]-2,6-dimethylpyrimidin-4-amine is COc1ccc(CNc2nc(C)nc(C)c2Cl)cc1C.
What is the InChIKey of 5-chloro-N-[(4-methoxy-3-methylphenyl)methyl]-2,6-dimethylpyrimidin-4-amine?
The InChIKey is JIJGSJSDBCGUPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O/c1-9-7-12(5-6-13(9)20-4)8-17-15-14(16)10(2)18-11(3)19-15/h5-7H,8H2,1-4H3,(H,17,18,19).
What are the key properties of 5-chloro-N-[(4-methoxy-3-methylphenyl)methyl]-2,6-dimethylpyrimidin-4-amine?
5-chloro-N-[(4-methoxy-3-methylphenyl)methyl]-2,6-dimethylpyrimidin-4-amine has a molecular weight of 291.78 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(4-methoxy-3-methylphenyl)methyl]-2,6-dimethylpyrimidin-4-amine is sourced from PubChem (CID 22640045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).