5-chloro-4-N-(2-methoxyphenyl)-4-N-methylpyrimidine-4,6-diamine

C12H13ClN4O — CID 114049829

IUPAC5-chloro-4-N-(2-methoxyphenyl)-4-N-methylpyrimidine-4,6-diamine
SMILESCOc1ccccc1N(C)c1ncnc(N)c1Cl
InChIInChI=1S/C12H13ClN4O/c1-17(8-5-3-4-6-9(8)18-2)12-10(13)11(14)15-7-16-12/h3-7H,1-2H3,(H2,14,15,16)
InChIKeyMLGCKNIMBDOKCL-UHFFFAOYSA-N
MW264.72 g/mol
LogP2.49
Rot. Bonds3

About 5-chloro-4-N-(2-methoxyphenyl)-4-N-methylpyrimidine-4,6-diamine

5-chloro-4-N-(2-methoxyphenyl)-4-N-methylpyrimidine-4,6-diamine (PubChem CID 114049829) has the molecular formula C12H13ClN4O and a molecular weight of 264.72 g/mol. Its IUPAC name is 5-chloro-4-N-(2-methoxyphenyl)-4-N-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name5-chloro-4-N-(2-methoxyphenyl)-4-N-methylpyrimidine-4,6-diamine
PubChem CID114049829
Molecular FormulaC12H13ClN4O
Molecular Weight264.72 g/mol
Exact Mass264.08
IUPAC Name5-chloro-4-N-(2-methoxyphenyl)-4-N-methylpyrimidine-4,6-diamine
SMILESCOc1ccccc1N(C)c1ncnc(N)c1Cl
InChIInChI=1S/C12H13ClN4O/c1-17(8-5-3-4-6-9(8)18-2)12-10(13)11(14)15-7-16-12/h3-7H,1-2H3,(H2,14,15,16)
InChIKeyMLGCKNIMBDOKCL-UHFFFAOYSA-N
XLogP2.49
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.72
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-5-ethyl-N-(2-methoxyphenyl)-N-methylpyrimidin-4-amine
CID 63730431
5-bromo-N-(2-methoxyphenyl)-N-methylpyrimidin-4-amine
CID 66317935
5-ethyl-6-hydrazinyl-N-(2-methoxyphenyl)-N-methylpyrimidin-4-amine
CID 80908314
6-chloro-5-(2-methoxyphenoxy)pyrimidin-4-amine
CID 19095701
2-chloro-N-(2-methoxyphenyl)-N,5-dimethylpyrimidin-4-amine
CID 79072490
6-chloro-N-(2-methoxyphenyl)-N,4,5-trimethylpyridazin-3-amine
CID 55167573
3,5-dichloro-6-hydrazinyl-N-(2-methoxyphenyl)-N-methylpyridin-2-amine
CID 102761927
6-chloro-2-N-(2-methoxyphenyl)-2-N-methyl-1,3,5-triazine-2,4-diamine
CID 80816535
2-chloro-N-(2-methoxyphenyl)-N-methylquinazolin-4-amine
CID 11266548
8-N-(2-methoxyphenyl)-8-N-methylimidazo[1,2-a]pyrazine-6,8-diamine
CID 80815985
methyl 2-[(5,6-diaminopyrimidin-4-yl)-methylamino]benzoate
CID 19137217
4-N-(2-methoxyphenyl)-4-N-methyl-6-(trifluoromethyl)pyridine-3,4-diamine
CID 106747617

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-N-(2-methoxyphenyl)-4-N-methylpyrimidine-4,6-diamine?
The IUPAC name of 5-chloro-4-N-(2-methoxyphenyl)-4-N-methylpyrimidine-4,6-diamine (CID 114049829) is 5-chloro-4-N-(2-methoxyphenyl)-4-N-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 5-chloro-4-N-(2-methoxyphenyl)-4-N-methylpyrimidine-4,6-diamine?
The canonical SMILES for 5-chloro-4-N-(2-methoxyphenyl)-4-N-methylpyrimidine-4,6-diamine is COc1ccccc1N(C)c1ncnc(N)c1Cl.
What is the InChIKey of 5-chloro-4-N-(2-methoxyphenyl)-4-N-methylpyrimidine-4,6-diamine?
The InChIKey is MLGCKNIMBDOKCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4O/c1-17(8-5-3-4-6-9(8)18-2)12-10(13)11(14)15-7-16-12/h3-7H,1-2H3,(H2,14,15,16).
What are the key properties of 5-chloro-4-N-(2-methoxyphenyl)-4-N-methylpyrimidine-4,6-diamine?
5-chloro-4-N-(2-methoxyphenyl)-4-N-methylpyrimidine-4,6-diamine has a molecular weight of 264.72 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-N-(2-methoxyphenyl)-4-N-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 114049829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).