5-(3,4-dimethoxyphenyl)-4-methylpyrimidin-2-amine

C13H15N3O2 — CID 1483651

IUPAC5-(3,4-dimethoxyphenyl)-4-methylpyrimidin-2-amine
SMILESCOc1ccc(-c2cnc(N)nc2C)cc1OC
InChIInChI=1S/C13H15N3O2/c1-8-10(7-15-13(14)16-8)9-4-5-11(17-2)12(6-9)18-3/h4-7H,1-3H3,(H2,14,15,16)
InChIKeyZGBHNTAZSJHFHP-UHFFFAOYSA-N
MW245.28 g/mol
LogP2.05
Rot. Bonds3

About 5-(3,4-dimethoxyphenyl)-4-methylpyrimidin-2-amine

5-(3,4-dimethoxyphenyl)-4-methylpyrimidin-2-amine (PubChem CID 1483651) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 5-(3,4-dimethoxyphenyl)-4-methylpyrimidin-2-amine.

Molecular Properties

Compound Name5-(3,4-dimethoxyphenyl)-4-methylpyrimidin-2-amine
PubChem CID1483651
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name5-(3,4-dimethoxyphenyl)-4-methylpyrimidin-2-amine
SMILESCOc1ccc(-c2cnc(N)nc2C)cc1OC
InChIInChI=1S/C13H15N3O2/c1-8-10(7-15-13(14)16-8)9-4-5-11(17-2)12(6-9)18-3/h4-7H,1-3H3,(H2,14,15,16)
InChIKeyZGBHNTAZSJHFHP-UHFFFAOYSA-N
XLogP2.05
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethoxyphenyl)-4-methylpyrimidin-2-amine?
The IUPAC name of 5-(3,4-dimethoxyphenyl)-4-methylpyrimidin-2-amine (CID 1483651) is 5-(3,4-dimethoxyphenyl)-4-methylpyrimidin-2-amine.
What is the SMILES notation for 5-(3,4-dimethoxyphenyl)-4-methylpyrimidin-2-amine?
The canonical SMILES for 5-(3,4-dimethoxyphenyl)-4-methylpyrimidin-2-amine is COc1ccc(-c2cnc(N)nc2C)cc1OC.
What is the InChIKey of 5-(3,4-dimethoxyphenyl)-4-methylpyrimidin-2-amine?
The InChIKey is ZGBHNTAZSJHFHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-8-10(7-15-13(14)16-8)9-4-5-11(17-2)12(6-9)18-3/h4-7H,1-3H3,(H2,14,15,16).
What are the key properties of 5-(3,4-dimethoxyphenyl)-4-methylpyrimidin-2-amine?
5-(3,4-dimethoxyphenyl)-4-methylpyrimidin-2-amine has a molecular weight of 245.28 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethoxyphenyl)-4-methylpyrimidin-2-amine is sourced from PubChem (CID 1483651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).