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

C13H15N3O — CID 853509

IUPACN-(2-methoxyphenyl)-4,6-dimethylpyrimidin-2-amine
SMILESCOc1ccccc1Nc1nc(C)cc(C)n1
InChIInChI=1S/C13H15N3O/c1-9-8-10(2)15-13(14-9)16-11-6-4-5-7-12(11)17-3/h4-8H,1-3H3,(H,14,15,16)
InChIKeySACRLESGJIHCMH-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.85
Rot. Bonds3

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

N-(2-methoxyphenyl)-4,6-dimethylpyrimidin-2-amine (PubChem CID 853509) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-4,6-dimethylpyrimidin-2-amine.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-4,6-dimethylpyrimidin-2-amine
PubChem CID853509
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC NameN-(2-methoxyphenyl)-4,6-dimethylpyrimidin-2-amine
SMILESCOc1ccccc1Nc1nc(C)cc(C)n1
InChIInChI=1S/C13H15N3O/c1-9-8-10(2)15-13(14-9)16-11-6-4-5-7-12(11)17-3/h4-8H,1-3H3,(H,14,15,16)
InChIKeySACRLESGJIHCMH-UHFFFAOYSA-N
XLogP2.85
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-4,6-dimethylpyrimidin-2-amine?
The IUPAC name of N-(2-methoxyphenyl)-4,6-dimethylpyrimidin-2-amine (CID 853509) is N-(2-methoxyphenyl)-4,6-dimethylpyrimidin-2-amine.
What is the SMILES notation for N-(2-methoxyphenyl)-4,6-dimethylpyrimidin-2-amine?
The canonical SMILES for N-(2-methoxyphenyl)-4,6-dimethylpyrimidin-2-amine is COc1ccccc1Nc1nc(C)cc(C)n1.
What is the InChIKey of N-(2-methoxyphenyl)-4,6-dimethylpyrimidin-2-amine?
The InChIKey is SACRLESGJIHCMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-9-8-10(2)15-13(14-9)16-11-6-4-5-7-12(11)17-3/h4-8H,1-3H3,(H,14,15,16).
What are the key properties of N-(2-methoxyphenyl)-4,6-dimethylpyrimidin-2-amine?
N-(2-methoxyphenyl)-4,6-dimethylpyrimidin-2-amine has a molecular weight of 229.28 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-4,6-dimethylpyrimidin-2-amine is sourced from PubChem (CID 853509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).