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

C13H22N4O — CID 112748827

IUPAC2-[1-(6-amino-2-propylpyrimidin-4-yl)pyrrolidin-2-yl]ethanol
SMILESCCCc1nc(N)cc(N2CCCC2CCO)n1
InChIInChI=1S/C13H22N4O/c1-2-4-12-15-11(14)9-13(16-12)17-7-3-5-10(17)6-8-18/h9-10,18H,2-8H2,1H3,(H2,14,15,16)
InChIKeyOLGITUIVDOBPMS-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.36
Rot. Bonds5

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

2-[1-(6-amino-2-propylpyrimidin-4-yl)pyrrolidin-2-yl]ethanol (PubChem CID 112748827) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 2-[1-(6-amino-2-propylpyrimidin-4-yl)pyrrolidin-2-yl]ethanol.

Molecular Properties

Compound Name2-[1-(6-amino-2-propylpyrimidin-4-yl)pyrrolidin-2-yl]ethanol
PubChem CID112748827
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name2-[1-(6-amino-2-propylpyrimidin-4-yl)pyrrolidin-2-yl]ethanol
SMILESCCCc1nc(N)cc(N2CCCC2CCO)n1
InChIInChI=1S/C13H22N4O/c1-2-4-12-15-11(14)9-13(16-12)17-7-3-5-10(17)6-8-18/h9-10,18H,2-8H2,1H3,(H2,14,15,16)
InChIKeyOLGITUIVDOBPMS-UHFFFAOYSA-N
XLogP1.36
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(6-amino-2-propylpyrimidin-4-yl)pyrrolidin-2-yl]ethanol?
The IUPAC name of 2-[1-(6-amino-2-propylpyrimidin-4-yl)pyrrolidin-2-yl]ethanol (CID 112748827) is 2-[1-(6-amino-2-propylpyrimidin-4-yl)pyrrolidin-2-yl]ethanol.
What is the SMILES notation for 2-[1-(6-amino-2-propylpyrimidin-4-yl)pyrrolidin-2-yl]ethanol?
The canonical SMILES for 2-[1-(6-amino-2-propylpyrimidin-4-yl)pyrrolidin-2-yl]ethanol is CCCc1nc(N)cc(N2CCCC2CCO)n1.
What is the InChIKey of 2-[1-(6-amino-2-propylpyrimidin-4-yl)pyrrolidin-2-yl]ethanol?
The InChIKey is OLGITUIVDOBPMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-2-4-12-15-11(14)9-13(16-12)17-7-3-5-10(17)6-8-18/h9-10,18H,2-8H2,1H3,(H2,14,15,16).
What are the key properties of 2-[1-(6-amino-2-propylpyrimidin-4-yl)pyrrolidin-2-yl]ethanol?
2-[1-(6-amino-2-propylpyrimidin-4-yl)pyrrolidin-2-yl]ethanol has a molecular weight of 250.35 g/mol, XLogP of 1.36, 5 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-propylpyrimidin-4-yl)pyrrolidin-2-yl]ethanol is sourced from PubChem (CID 112748827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).