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

C13H14ClN3O — CID 79072490

IUPAC2-chloro-N-(2-methoxyphenyl)-N,5-dimethylpyrimidin-4-amine
SMILESCOc1ccccc1N(C)c1nc(Cl)ncc1C
InChIInChI=1S/C13H14ClN3O/c1-9-8-15-13(14)16-12(9)17(2)10-6-4-5-7-11(10)18-3/h4-8H,1-3H3
InChIKeyALHFUTNPBLFGSM-UHFFFAOYSA-N
MW263.73 g/mol
LogP3.21
Rot. Bonds3

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

2-chloro-N-(2-methoxyphenyl)-N,5-dimethylpyrimidin-4-amine (PubChem CID 79072490) has the molecular formula C13H14ClN3O and a molecular weight of 263.73 g/mol. Its IUPAC name is 2-chloro-N-(2-methoxyphenyl)-N,5-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-(2-methoxyphenyl)-N,5-dimethylpyrimidin-4-amine
PubChem CID79072490
Molecular FormulaC13H14ClN3O
Molecular Weight263.73 g/mol
Exact Mass263.08
IUPAC Name2-chloro-N-(2-methoxyphenyl)-N,5-dimethylpyrimidin-4-amine
SMILESCOc1ccccc1N(C)c1nc(Cl)ncc1C
InChIInChI=1S/C13H14ClN3O/c1-9-8-15-13(14)16-12(9)17(2)10-6-4-5-7-11(10)18-3/h4-8H,1-3H3
InChIKeyALHFUTNPBLFGSM-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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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-methoxyphenyl)-N,5-dimethylpyrimidin-4-amine?
The IUPAC name of 2-chloro-N-(2-methoxyphenyl)-N,5-dimethylpyrimidin-4-amine (CID 79072490) is 2-chloro-N-(2-methoxyphenyl)-N,5-dimethylpyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-(2-methoxyphenyl)-N,5-dimethylpyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-(2-methoxyphenyl)-N,5-dimethylpyrimidin-4-amine is COc1ccccc1N(C)c1nc(Cl)ncc1C.
What is the InChIKey of 2-chloro-N-(2-methoxyphenyl)-N,5-dimethylpyrimidin-4-amine?
The InChIKey is ALHFUTNPBLFGSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O/c1-9-8-15-13(14)16-12(9)17(2)10-6-4-5-7-11(10)18-3/h4-8H,1-3H3.
What are the key properties of 2-chloro-N-(2-methoxyphenyl)-N,5-dimethylpyrimidin-4-amine?
2-chloro-N-(2-methoxyphenyl)-N,5-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 2-chloro-N-(2-methoxyphenyl)-N,5-dimethylpyrimidin-4-amine is sourced from PubChem (CID 79072490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).