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

C13H14ClN3O — CID 55079871

IUPAC6-chloro-N-(3-methoxyphenyl)-N,2-dimethylpyrimidin-4-amine
SMILESCOc1cccc(N(C)c2cc(Cl)nc(C)n2)c1
InChIInChI=1S/C13H14ClN3O/c1-9-15-12(14)8-13(16-9)17(2)10-5-4-6-11(7-10)18-3/h4-8H,1-3H3
InChIKeyMTMLOUGCSZCDRX-UHFFFAOYSA-N
MW263.73 g/mol
LogP3.21
Rot. Bonds3

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

6-chloro-N-(3-methoxyphenyl)-N,2-dimethylpyrimidin-4-amine (PubChem CID 55079871) has the molecular formula C13H14ClN3O and a molecular weight of 263.73 g/mol. Its IUPAC name is 6-chloro-N-(3-methoxyphenyl)-N,2-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(3-methoxyphenyl)-N,2-dimethylpyrimidin-4-amine
PubChem CID55079871
Molecular FormulaC13H14ClN3O
Molecular Weight263.73 g/mol
Exact Mass263.08
IUPAC Name6-chloro-N-(3-methoxyphenyl)-N,2-dimethylpyrimidin-4-amine
SMILESCOc1cccc(N(C)c2cc(Cl)nc(C)n2)c1
InChIInChI=1S/C13H14ClN3O/c1-9-15-12(14)8-13(16-9)17(2)10-5-4-6-11(7-10)18-3/h4-8H,1-3H3
InChIKeyMTMLOUGCSZCDRX-UHFFFAOYSA-N
XLogP3.21
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.73
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-2-ethyl-N-methyl-N-(3-methylphenyl)pyrimidin-4-amine
CID 80935558
N-(3-methoxyphenyl)-N,3-dimethylaniline
CID 57317971
4-chloro-6-methoxy-N-(3-methoxyphenyl)-N-methyl-1,3,5-triazin-2-amine
CID 62858681
6-chloro-2-N-(3-methoxyphenyl)-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine
CID 62863477
4-(chloromethyl)-N-(3-methoxyphenyl)-N,6-dimethylpyrimidin-2-amine
CID 114220031
3-methoxy-N,N-disilylaniline
CID 149149494
6-chloro-N,N-bis[(4-methoxyphenyl)methyl]-2-methylpyrimidin-4-amine
CID 59548404
2-N-(3-methoxyphenyl)-2-N,5-dimethylpyridine-2,4-diamine
CID 83265143
6-chloro-N-(3-methoxyphenyl)-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine
CID 80972238
6-chloro-2-N-(3-methoxyphenyl)-2-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 80817157
3-chloro-2-(chloromethyl)-N-(3-methoxyphenyl)-N-methylaniline
CID 63567290
2-chloro-6-(3-cyano-N-methylanilino)pyridine-4-carbonitrile
CID 83076502

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(3-methoxyphenyl)-N,2-dimethylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-(3-methoxyphenyl)-N,2-dimethylpyrimidin-4-amine (CID 55079871) is 6-chloro-N-(3-methoxyphenyl)-N,2-dimethylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-(3-methoxyphenyl)-N,2-dimethylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-(3-methoxyphenyl)-N,2-dimethylpyrimidin-4-amine is COc1cccc(N(C)c2cc(Cl)nc(C)n2)c1.
What is the InChIKey of 6-chloro-N-(3-methoxyphenyl)-N,2-dimethylpyrimidin-4-amine?
The InChIKey is MTMLOUGCSZCDRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O/c1-9-15-12(14)8-13(16-9)17(2)10-5-4-6-11(7-10)18-3/h4-8H,1-3H3.
What are the key properties of 6-chloro-N-(3-methoxyphenyl)-N,2-dimethylpyrimidin-4-amine?
6-chloro-N-(3-methoxyphenyl)-N,2-dimethylpyrimidin-4-amine has a molecular weight of 263.73 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(3-methoxyphenyl)-N,2-dimethylpyrimidin-4-amine is sourced from PubChem (CID 55079871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).