[1-[6-[(4-ethylphenyl)methyl-methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol

C19H26N4O — CID 86933300

IUPAC[1-[6-[(4-ethylphenyl)methyl-methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
SMILESCCc1ccc(CN(C)c2cc(N3CCCC3CO)ncn2)cc1
InChIInChI=1S/C19H26N4O/c1-3-15-6-8-16(9-7-15)12-22(2)18-11-19(21-14-20-18)23-10-4-5-17(23)13-24/h6-9,11,14,17,24H,3-5,10,12-13H2,1-2H3
InChIKeyAEQSBYQCAUNARP-UHFFFAOYSA-N
MW326.44 g/mol
LogP2.64
Rot. Bonds6

About [1-[6-[(4-ethylphenyl)methyl-methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol

[1-[6-[(4-ethylphenyl)methyl-methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol (PubChem CID 86933300) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is [1-[6-[(4-ethylphenyl)methyl-methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[6-[(4-ethylphenyl)methyl-methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
PubChem CID86933300
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC Name[1-[6-[(4-ethylphenyl)methyl-methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
SMILESCCc1ccc(CN(C)c2cc(N3CCCC3CO)ncn2)cc1
InChIInChI=1S/C19H26N4O/c1-3-15-6-8-16(9-7-15)12-22(2)18-11-19(21-14-20-18)23-10-4-5-17(23)13-24/h6-9,11,14,17,24H,3-5,10,12-13H2,1-2H3
InChIKeyAEQSBYQCAUNARP-UHFFFAOYSA-N
XLogP2.64
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(2S)-1-[6-[furan-3-ylmethyl(methyl)amino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 98767127
[1-[6-[methyl(2-methylpropyl)amino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 115265310
[1-[6-[methyl-[(1-methylimidazol-2-yl)methyl]amino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 133432045
2-[[6-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]-methylamino]-N-methylacetamide
CID 98767103
2-[1-[6-[methyl(propyl)amino]pyrimidin-4-yl]pyrrolidin-2-yl]ethanol
CID 115265322
[(2R)-1-[6-[2-(2-methoxyphenyl)ethyl-methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 95764108
2-[[6-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]-methylamino]propanoic acid
CID 122048649
3-[[6-[2-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]-methylamino]-2-methylpropanoic acid
CID 122064774
6-[2-(2-aminoethyl)pyrrolidin-1-yl]-N-ethyl-N-methylpyrimidin-4-amine
CID 115265366
[1-(6-propylpyrimidin-4-yl)pyrrolidin-2-yl]methanol
CID 61409380
[1-(6-ethylpyrimidin-4-yl)azepan-2-yl]methanol
CID 116636939
[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 80795011

Frequently Asked Questions

What is the IUPAC name of [1-[6-[(4-ethylphenyl)methyl-methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol?
The IUPAC name of [1-[6-[(4-ethylphenyl)methyl-methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol (CID 86933300) is [1-[6-[(4-ethylphenyl)methyl-methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-[6-[(4-ethylphenyl)methyl-methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [1-[6-[(4-ethylphenyl)methyl-methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol is CCc1ccc(CN(C)c2cc(N3CCCC3CO)ncn2)cc1.
What is the InChIKey of [1-[6-[(4-ethylphenyl)methyl-methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol?
The InChIKey is AEQSBYQCAUNARP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/c1-3-15-6-8-16(9-7-15)12-22(2)18-11-19(21-14-20-18)23-10-4-5-17(23)13-24/h6-9,11,14,17,24H,3-5,10,12-13H2,1-2H3.
What are the key properties of [1-[6-[(4-ethylphenyl)methyl-methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol?
[1-[6-[(4-ethylphenyl)methyl-methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol has a molecular weight of 326.44 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[6-[(4-ethylphenyl)methyl-methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 86933300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).