6-(4-methoxy-2-methylphenyl)-5-methyl-2-propylpyrimidin-4-amine

C16H21N3O — CID 80976055

IUPAC6-(4-methoxy-2-methylphenyl)-5-methyl-2-propylpyrimidin-4-amine
SMILESCCCc1nc(N)c(C)c(-c2ccc(OC)cc2C)n1
InChIInChI=1S/C16H21N3O/c1-5-6-14-18-15(11(3)16(17)19-14)13-8-7-12(20-4)9-10(13)2/h7-9H,5-6H2,1-4H3,(H2,17,18,19)
InChIKeySAKYFQUQHYMLOX-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.30
Rot. Bonds4

About 6-(4-methoxy-2-methylphenyl)-5-methyl-2-propylpyrimidin-4-amine

6-(4-methoxy-2-methylphenyl)-5-methyl-2-propylpyrimidin-4-amine (PubChem CID 80976055) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 6-(4-methoxy-2-methylphenyl)-5-methyl-2-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(4-methoxy-2-methylphenyl)-5-methyl-2-propylpyrimidin-4-amine
PubChem CID80976055
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name6-(4-methoxy-2-methylphenyl)-5-methyl-2-propylpyrimidin-4-amine
SMILESCCCc1nc(N)c(C)c(-c2ccc(OC)cc2C)n1
InChIInChI=1S/C16H21N3O/c1-5-6-14-18-15(11(3)16(17)19-14)13-8-7-12(20-4)9-10(13)2/h7-9H,5-6H2,1-4H3,(H2,17,18,19)
InChIKeySAKYFQUQHYMLOX-UHFFFAOYSA-N
XLogP3.30
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxy-2-methylphenyl)-5-methyl-2-propylpyrimidin-4-amine?
The IUPAC name of 6-(4-methoxy-2-methylphenyl)-5-methyl-2-propylpyrimidin-4-amine (CID 80976055) is 6-(4-methoxy-2-methylphenyl)-5-methyl-2-propylpyrimidin-4-amine.
What is the SMILES notation for 6-(4-methoxy-2-methylphenyl)-5-methyl-2-propylpyrimidin-4-amine?
The canonical SMILES for 6-(4-methoxy-2-methylphenyl)-5-methyl-2-propylpyrimidin-4-amine is CCCc1nc(N)c(C)c(-c2ccc(OC)cc2C)n1.
What is the InChIKey of 6-(4-methoxy-2-methylphenyl)-5-methyl-2-propylpyrimidin-4-amine?
The InChIKey is SAKYFQUQHYMLOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-5-6-14-18-15(11(3)16(17)19-14)13-8-7-12(20-4)9-10(13)2/h7-9H,5-6H2,1-4H3,(H2,17,18,19).
What are the key properties of 6-(4-methoxy-2-methylphenyl)-5-methyl-2-propylpyrimidin-4-amine?
6-(4-methoxy-2-methylphenyl)-5-methyl-2-propylpyrimidin-4-amine has a molecular weight of 271.36 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxy-2-methylphenyl)-5-methyl-2-propylpyrimidin-4-amine is sourced from PubChem (CID 80976055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).