2-cyclopropyl-6-(2-methoxy-3,4-dimethylphenyl)-5-methylpyrimidin-4-amine

C17H21N3O — CID 103434518

IUPAC2-cyclopropyl-6-(2-methoxy-3,4-dimethylphenyl)-5-methylpyrimidin-4-amine
SMILESCOc1c(-c2nc(C3CC3)nc(N)c2C)ccc(C)c1C
InChIInChI=1S/C17H21N3O/c1-9-5-8-13(15(21-4)10(9)2)14-11(3)16(18)20-17(19-14)12-6-7-12/h5,8,12H,6-7H2,1-4H3,(H2,18,19,20)
InChIKeyPEYKXTUHQOMVHJ-UHFFFAOYSA-N
MW283.38 g/mol
LogP3.54
Rot. Bonds3

About 2-cyclopropyl-6-(2-methoxy-3,4-dimethylphenyl)-5-methylpyrimidin-4-amine

2-cyclopropyl-6-(2-methoxy-3,4-dimethylphenyl)-5-methylpyrimidin-4-amine (PubChem CID 103434518) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 2-cyclopropyl-6-(2-methoxy-3,4-dimethylphenyl)-5-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-cyclopropyl-6-(2-methoxy-3,4-dimethylphenyl)-5-methylpyrimidin-4-amine
PubChem CID103434518
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name2-cyclopropyl-6-(2-methoxy-3,4-dimethylphenyl)-5-methylpyrimidin-4-amine
SMILESCOc1c(-c2nc(C3CC3)nc(N)c2C)ccc(C)c1C
InChIInChI=1S/C17H21N3O/c1-9-5-8-13(15(21-4)10(9)2)14-11(3)16(18)20-17(19-14)12-6-7-12/h5,8,12H,6-7H2,1-4H3,(H2,18,19,20)
InChIKeyPEYKXTUHQOMVHJ-UHFFFAOYSA-N
XLogP3.54
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-(2-methoxy-3,4-dimethylphenyl)-5-methylpyrimidin-4-amine?
The IUPAC name of 2-cyclopropyl-6-(2-methoxy-3,4-dimethylphenyl)-5-methylpyrimidin-4-amine (CID 103434518) is 2-cyclopropyl-6-(2-methoxy-3,4-dimethylphenyl)-5-methylpyrimidin-4-amine.
What is the SMILES notation for 2-cyclopropyl-6-(2-methoxy-3,4-dimethylphenyl)-5-methylpyrimidin-4-amine?
The canonical SMILES for 2-cyclopropyl-6-(2-methoxy-3,4-dimethylphenyl)-5-methylpyrimidin-4-amine is COc1c(-c2nc(C3CC3)nc(N)c2C)ccc(C)c1C.
What is the InChIKey of 2-cyclopropyl-6-(2-methoxy-3,4-dimethylphenyl)-5-methylpyrimidin-4-amine?
The InChIKey is PEYKXTUHQOMVHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-9-5-8-13(15(21-4)10(9)2)14-11(3)16(18)20-17(19-14)12-6-7-12/h5,8,12H,6-7H2,1-4H3,(H2,18,19,20).
What are the key properties of 2-cyclopropyl-6-(2-methoxy-3,4-dimethylphenyl)-5-methylpyrimidin-4-amine?
2-cyclopropyl-6-(2-methoxy-3,4-dimethylphenyl)-5-methylpyrimidin-4-amine has a molecular weight of 283.38 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-(2-methoxy-3,4-dimethylphenyl)-5-methylpyrimidin-4-amine is sourced from PubChem (CID 103434518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).