2-[(4,6-dipyrrolidin-1-ylpyrimidin-2-yl)amino]-1-phenylethanol

C20H27N5O — CID 22496166

IUPAC2-[(4,6-dipyrrolidin-1-ylpyrimidin-2-yl)amino]-1-phenylethanol
SMILESOC(CNc1nc(N2CCCC2)cc(N2CCCC2)n1)c1ccccc1
InChIInChI=1S/C20H27N5O/c26-17(16-8-2-1-3-9-16)15-21-20-22-18(24-10-4-5-11-24)14-19(23-20)25-12-6-7-13-25/h1-3,8-9,14,17,26H,4-7,10-13,15H2,(H,21,22,23)
InChIKeyJJKBRFOGYBMIAE-UHFFFAOYSA-N
MW353.47 g/mol
LogP2.82
Rot. Bonds6

About 2-[(4,6-dipyrrolidin-1-ylpyrimidin-2-yl)amino]-1-phenylethanol

2-[(4,6-dipyrrolidin-1-ylpyrimidin-2-yl)amino]-1-phenylethanol (PubChem CID 22496166) has the molecular formula C20H27N5O and a molecular weight of 353.47 g/mol. Its IUPAC name is 2-[(4,6-dipyrrolidin-1-ylpyrimidin-2-yl)amino]-1-phenylethanol.

Molecular Properties

Compound Name2-[(4,6-dipyrrolidin-1-ylpyrimidin-2-yl)amino]-1-phenylethanol
PubChem CID22496166
Molecular FormulaC20H27N5O
Molecular Weight353.47 g/mol
Exact Mass353.22
IUPAC Name2-[(4,6-dipyrrolidin-1-ylpyrimidin-2-yl)amino]-1-phenylethanol
SMILESOC(CNc1nc(N2CCCC2)cc(N2CCCC2)n1)c1ccccc1
InChIInChI=1S/C20H27N5O/c26-17(16-8-2-1-3-9-16)15-21-20-22-18(24-10-4-5-11-24)14-19(23-20)25-12-6-7-13-25/h1-3,8-9,14,17,26H,4-7,10-13,15H2,(H,21,22,23)
InChIKeyJJKBRFOGYBMIAE-UHFFFAOYSA-N
XLogP2.82
TPSA64.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-phenyl-2-(4-pyrrolidin-1-ylanilino)ethanol
CID 60720235
1-phenyl-2-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]ethanol
CID 75379570
1-[(1S)-1-phenylethyl]-3-(4-piperidin-1-yl-6-pyrrolidin-1-ylpyrimidin-2-yl)thiourea
CID 100784634
1-[4-(azepan-1-yl)-6-piperidin-1-ylpyrimidin-2-yl]-3-(1-phenylethyl)thiourea
CID 133197385
1-[(1S)-1-phenylethyl]-3-[4-(4-phenylpiperazin-1-yl)-6-pyrrolidin-1-ylpyrimidin-2-yl]thiourea
CID 100784674
(1R)-2-[(4-cyclopentylpyrimidin-2-yl)amino]-1-phenylethanol
CID 95559150
4-phenyl-N-(pyridin-4-ylmethyl)-6-pyrrolidin-1-ylpyrimidin-2-amine
CID 112934103
2-[(4-cyclopentylpyrimidin-2-yl)amino]-1-phenylethanol
CID 56879923
N-(2-methylpropyl)-4-pyrrolidin-1-ylpyrimidin-2-amine
CID 112883334
4-(4-benzylpiperazin-1-yl)-6-methyl-N-(2-methylpropyl)pyrimidin-2-amine
CID 112908701
N-butyl-4-phenyl-6-pyrrolidin-1-ylpyrimidin-2-amine
CID 112933620
2-[[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]-1-phenylethanol
CID 80779813

Frequently Asked Questions

What is the IUPAC name of 2-[(4,6-dipyrrolidin-1-ylpyrimidin-2-yl)amino]-1-phenylethanol?
The IUPAC name of 2-[(4,6-dipyrrolidin-1-ylpyrimidin-2-yl)amino]-1-phenylethanol (CID 22496166) is 2-[(4,6-dipyrrolidin-1-ylpyrimidin-2-yl)amino]-1-phenylethanol.
What is the SMILES notation for 2-[(4,6-dipyrrolidin-1-ylpyrimidin-2-yl)amino]-1-phenylethanol?
The canonical SMILES for 2-[(4,6-dipyrrolidin-1-ylpyrimidin-2-yl)amino]-1-phenylethanol is OC(CNc1nc(N2CCCC2)cc(N2CCCC2)n1)c1ccccc1.
What is the InChIKey of 2-[(4,6-dipyrrolidin-1-ylpyrimidin-2-yl)amino]-1-phenylethanol?
The InChIKey is JJKBRFOGYBMIAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O/c26-17(16-8-2-1-3-9-16)15-21-20-22-18(24-10-4-5-11-24)14-19(23-20)25-12-6-7-13-25/h1-3,8-9,14,17,26H,4-7,10-13,15H2,(H,21,22,23).
What are the key properties of 2-[(4,6-dipyrrolidin-1-ylpyrimidin-2-yl)amino]-1-phenylethanol?
2-[(4,6-dipyrrolidin-1-ylpyrimidin-2-yl)amino]-1-phenylethanol has a molecular weight of 353.47 g/mol, XLogP of 2.82, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,6-dipyrrolidin-1-ylpyrimidin-2-yl)amino]-1-phenylethanol is sourced from PubChem (CID 22496166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).