6-(2-ethylpyrrolidin-1-yl)-N-methyl-2-phenylpyrimidin-4-amine

C17H22N4 — CID 115915410

IUPAC6-(2-ethylpyrrolidin-1-yl)-N-methyl-2-phenylpyrimidin-4-amine
SMILESCCC1CCCN1c1cc(NC)nc(-c2ccccc2)n1
InChIInChI=1S/C17H22N4/c1-3-14-10-7-11-21(14)16-12-15(18-2)19-17(20-16)13-8-5-4-6-9-13/h4-6,8-9,12,14H,3,7,10-11H2,1-2H3,(H,18,19,20)
InChIKeyGRZHWLIZOBLQGF-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.56
Rot. Bonds4

About 6-(2-ethylpyrrolidin-1-yl)-N-methyl-2-phenylpyrimidin-4-amine

6-(2-ethylpyrrolidin-1-yl)-N-methyl-2-phenylpyrimidin-4-amine (PubChem CID 115915410) has the molecular formula C17H22N4 and a molecular weight of 282.39 g/mol. Its IUPAC name is 6-(2-ethylpyrrolidin-1-yl)-N-methyl-2-phenylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(2-ethylpyrrolidin-1-yl)-N-methyl-2-phenylpyrimidin-4-amine
PubChem CID115915410
Molecular FormulaC17H22N4
Molecular Weight282.39 g/mol
Exact Mass282.18
IUPAC Name6-(2-ethylpyrrolidin-1-yl)-N-methyl-2-phenylpyrimidin-4-amine
SMILESCCC1CCCN1c1cc(NC)nc(-c2ccccc2)n1
InChIInChI=1S/C17H22N4/c1-3-14-10-7-11-21(14)16-12-15(18-2)19-17(20-16)13-8-5-4-6-9-13/h4-6,8-9,12,14H,3,7,10-11H2,1-2H3,(H,18,19,20)
InChIKeyGRZHWLIZOBLQGF-UHFFFAOYSA-N
XLogP3.56
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[6-(methylamino)-2-phenylpyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 115915425
2-cyclopropyl-6-(2-ethylpyrrolidin-1-yl)-N-methylpyrimidin-4-amine
CID 80967096
6-(2-ethylpyrrolidin-1-yl)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106770980
[6-(2-ethylpiperidin-1-yl)-2-phenylpyrimidin-4-yl]-piperidin-1-ylmethanone
CID 112852964
1-[6-(methylamino)-2-phenylpyrimidin-4-yl]pyrrolidin-3-ol
CID 115915565
[1-(6-chloro-2-phenylpyrimidin-4-yl)pyrrolidin-2-yl]methanol
CID 115914691
6-[(2S)-2-ethylpiperidin-1-yl]-N-methylpyrimidin-4-amine
CID 129372140
6-(3-methoxypyrrolidin-1-yl)-N-methyl-2-phenylpyrimidin-4-amine
CID 103541732
6-(2-ethylazepan-1-yl)-N-methylpyrimidin-4-amine
CID 104693081
4-N-cyclobutyl-6-N-methyl-2-phenylpyrimidine-4,6-diamine
CID 112559826
6-(2-ethylpiperidin-1-yl)-2-methyl-N-(1-phenylethyl)pyrimidin-4-amine
CID 112872082
[(2R)-1-[2-amino-6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 122491334

Frequently Asked Questions

What is the IUPAC name of 6-(2-ethylpyrrolidin-1-yl)-N-methyl-2-phenylpyrimidin-4-amine?
The IUPAC name of 6-(2-ethylpyrrolidin-1-yl)-N-methyl-2-phenylpyrimidin-4-amine (CID 115915410) is 6-(2-ethylpyrrolidin-1-yl)-N-methyl-2-phenylpyrimidin-4-amine.
What is the SMILES notation for 6-(2-ethylpyrrolidin-1-yl)-N-methyl-2-phenylpyrimidin-4-amine?
The canonical SMILES for 6-(2-ethylpyrrolidin-1-yl)-N-methyl-2-phenylpyrimidin-4-amine is CCC1CCCN1c1cc(NC)nc(-c2ccccc2)n1.
What is the InChIKey of 6-(2-ethylpyrrolidin-1-yl)-N-methyl-2-phenylpyrimidin-4-amine?
The InChIKey is GRZHWLIZOBLQGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4/c1-3-14-10-7-11-21(14)16-12-15(18-2)19-17(20-16)13-8-5-4-6-9-13/h4-6,8-9,12,14H,3,7,10-11H2,1-2H3,(H,18,19,20).
What are the key properties of 6-(2-ethylpyrrolidin-1-yl)-N-methyl-2-phenylpyrimidin-4-amine?
6-(2-ethylpyrrolidin-1-yl)-N-methyl-2-phenylpyrimidin-4-amine has a molecular weight of 282.39 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-ethylpyrrolidin-1-yl)-N-methyl-2-phenylpyrimidin-4-amine is sourced from PubChem (CID 115915410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).