2-(2-methoxy-4,6-dimethylphenyl)-4-methyl-N,N-dipropylpyrimidin-5-amine

C20H29N3O — CID 44587452

IUPAC2-(2-methoxy-4,6-dimethylphenyl)-4-methyl-N,N-dipropylpyrimidin-5-amine
SMILESCCCN(CCC)c1cnc(-c2c(C)cc(C)cc2OC)nc1C
InChIInChI=1S/C20H29N3O/c1-7-9-23(10-8-2)17-13-21-20(22-16(17)5)19-15(4)11-14(3)12-18(19)24-6/h11-13H,7-10H2,1-6H3
InChIKeyUDBQBFAWHDEHND-UHFFFAOYSA-N
MW327.47 g/mol
LogP4.70
Rot. Bonds7

About 2-(2-methoxy-4,6-dimethylphenyl)-4-methyl-N,N-dipropylpyrimidin-5-amine

2-(2-methoxy-4,6-dimethylphenyl)-4-methyl-N,N-dipropylpyrimidin-5-amine (PubChem CID 44587452) has the molecular formula C20H29N3O and a molecular weight of 327.47 g/mol. Its IUPAC name is 2-(2-methoxy-4,6-dimethylphenyl)-4-methyl-N,N-dipropylpyrimidin-5-amine.

Molecular Properties

Compound Name2-(2-methoxy-4,6-dimethylphenyl)-4-methyl-N,N-dipropylpyrimidin-5-amine
PubChem CID44587452
Molecular FormulaC20H29N3O
Molecular Weight327.47 g/mol
Exact Mass327.23
IUPAC Name2-(2-methoxy-4,6-dimethylphenyl)-4-methyl-N,N-dipropylpyrimidin-5-amine
SMILESCCCN(CCC)c1cnc(-c2c(C)cc(C)cc2OC)nc1C
InChIInChI=1S/C20H29N3O/c1-7-9-23(10-8-2)17-13-21-20(22-16(17)5)19-15(4)11-14(3)12-18(19)24-6/h11-13H,7-10H2,1-6H3
InChIKeyUDBQBFAWHDEHND-UHFFFAOYSA-N
XLogP4.70
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.47
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-4,6-dimethylphenyl)-4-methyl-N,N-dipropylpyrimidin-5-amine?
The IUPAC name of 2-(2-methoxy-4,6-dimethylphenyl)-4-methyl-N,N-dipropylpyrimidin-5-amine (CID 44587452) is 2-(2-methoxy-4,6-dimethylphenyl)-4-methyl-N,N-dipropylpyrimidin-5-amine.
What is the SMILES notation for 2-(2-methoxy-4,6-dimethylphenyl)-4-methyl-N,N-dipropylpyrimidin-5-amine?
The canonical SMILES for 2-(2-methoxy-4,6-dimethylphenyl)-4-methyl-N,N-dipropylpyrimidin-5-amine is CCCN(CCC)c1cnc(-c2c(C)cc(C)cc2OC)nc1C.
What is the InChIKey of 2-(2-methoxy-4,6-dimethylphenyl)-4-methyl-N,N-dipropylpyrimidin-5-amine?
The InChIKey is UDBQBFAWHDEHND-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O/c1-7-9-23(10-8-2)17-13-21-20(22-16(17)5)19-15(4)11-14(3)12-18(19)24-6/h11-13H,7-10H2,1-6H3.
What are the key properties of 2-(2-methoxy-4,6-dimethylphenyl)-4-methyl-N,N-dipropylpyrimidin-5-amine?
2-(2-methoxy-4,6-dimethylphenyl)-4-methyl-N,N-dipropylpyrimidin-5-amine has a molecular weight of 327.47 g/mol, XLogP of 4.70, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-4,6-dimethylphenyl)-4-methyl-N,N-dipropylpyrimidin-5-amine is sourced from PubChem (CID 44587452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).