2-[1-(6-amino-2-phenylpyrimidin-4-yl)pyrrolidin-3-yl]ethanol

C16H20N4O — CID 114802916

IUPAC2-[1-(6-amino-2-phenylpyrimidin-4-yl)pyrrolidin-3-yl]ethanol
SMILESNc1cc(N2CCC(CCO)C2)nc(-c2ccccc2)n1
InChIInChI=1S/C16H20N4O/c17-14-10-15(20-8-6-12(11-20)7-9-21)19-16(18-14)13-4-2-1-3-5-13/h1-5,10,12,21H,6-9,11H2,(H2,17,18,19)
InChIKeyLYCVFLAMMWARKC-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.93
Rot. Bonds4

About 2-[1-(6-amino-2-phenylpyrimidin-4-yl)pyrrolidin-3-yl]ethanol

2-[1-(6-amino-2-phenylpyrimidin-4-yl)pyrrolidin-3-yl]ethanol (PubChem CID 114802916) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-[1-(6-amino-2-phenylpyrimidin-4-yl)pyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-(6-amino-2-phenylpyrimidin-4-yl)pyrrolidin-3-yl]ethanol
PubChem CID114802916
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name2-[1-(6-amino-2-phenylpyrimidin-4-yl)pyrrolidin-3-yl]ethanol
SMILESNc1cc(N2CCC(CCO)C2)nc(-c2ccccc2)n1
InChIInChI=1S/C16H20N4O/c17-14-10-15(20-8-6-12(11-20)7-9-21)19-16(18-14)13-4-2-1-3-5-13/h1-5,10,12,21H,6-9,11H2,(H2,17,18,19)
InChIKeyLYCVFLAMMWARKC-UHFFFAOYSA-N
XLogP1.93
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(6-chloro-2-phenylpyrimidin-4-yl)pyrrolidin-3-yl]ethanol
CID 114799174
[4-(6-amino-2-phenylpyrimidin-4-yl)morpholin-2-yl]methanol
CID 115915735
6-(3,5-dimethylpiperidin-1-yl)-2-phenylpyrimidin-4-amine
CID 115915195
2-[1-(5-amino-4-methyl-2-pyridinyl)pyrrolidin-3-yl]ethanol
CID 114796912
2-[1-(3-aminophenyl)pyrrolidin-3-yl]ethanol
CID 114796856
2-phenyl-6-(1,4-thiazepan-4-yl)pyrimidin-4-amine
CID 115915426
2-[1-[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]pyrrolidin-3-yl]ethanol
CID 114802808
6-[3-(2-hydroxyethyl)pyrrolidin-1-yl]pyridine-2-carboximidamide
CID 114797876
2-[1-(3,4-diaminophenyl)pyrrolidin-3-yl]ethanol
CID 106751244
2-[1-(6-aminopyrimidin-4-yl)piperidin-4-yl]ethanol
CID 121206000
2-[(3S)-1-(6-phenylmethoxypyrazin-2-yl)pyrrolidin-3-yl]ethanol
CID 97047985
2-[1-(5-amino-6-ethoxy-2-pyridinyl)pyrrolidin-3-yl]ethanol
CID 114796899

Frequently Asked Questions

What is the IUPAC name of 2-[1-(6-amino-2-phenylpyrimidin-4-yl)pyrrolidin-3-yl]ethanol?
The IUPAC name of 2-[1-(6-amino-2-phenylpyrimidin-4-yl)pyrrolidin-3-yl]ethanol (CID 114802916) is 2-[1-(6-amino-2-phenylpyrimidin-4-yl)pyrrolidin-3-yl]ethanol.
What is the SMILES notation for 2-[1-(6-amino-2-phenylpyrimidin-4-yl)pyrrolidin-3-yl]ethanol?
The canonical SMILES for 2-[1-(6-amino-2-phenylpyrimidin-4-yl)pyrrolidin-3-yl]ethanol is Nc1cc(N2CCC(CCO)C2)nc(-c2ccccc2)n1.
What is the InChIKey of 2-[1-(6-amino-2-phenylpyrimidin-4-yl)pyrrolidin-3-yl]ethanol?
The InChIKey is LYCVFLAMMWARKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c17-14-10-15(20-8-6-12(11-20)7-9-21)19-16(18-14)13-4-2-1-3-5-13/h1-5,10,12,21H,6-9,11H2,(H2,17,18,19).
What are the key properties of 2-[1-(6-amino-2-phenylpyrimidin-4-yl)pyrrolidin-3-yl]ethanol?
2-[1-(6-amino-2-phenylpyrimidin-4-yl)pyrrolidin-3-yl]ethanol has a molecular weight of 284.36 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(6-amino-2-phenylpyrimidin-4-yl)pyrrolidin-3-yl]ethanol is sourced from PubChem (CID 114802916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).