4-amino-1-[5-(2-hydroxyethyl)oxolan-2-yl]-5-(hydroxymethyl)pyrimidin-2-one

C11H17N3O4 — CID 139418555

IUPAC4-amino-1-[5-(2-hydroxyethyl)oxolan-2-yl]-5-(hydroxymethyl)pyrimidin-2-one
SMILESNc1nc(=O)n(C2CCC(CCO)O2)cc1CO
InChIInChI=1S/C11H17N3O4/c12-10-7(6-16)5-14(11(17)13-10)9-2-1-8(18-9)3-4-15/h5,8-9,15-16H,1-4,6H2,(H2,12,13,17)
InChIKeyHXGLZNIBWJSLRJ-UHFFFAOYSA-N
MW255.27 g/mol
LogP-0.62
Rot. Bonds4

About 4-amino-1-[5-(2-hydroxyethyl)oxolan-2-yl]-5-(hydroxymethyl)pyrimidin-2-one

4-amino-1-[5-(2-hydroxyethyl)oxolan-2-yl]-5-(hydroxymethyl)pyrimidin-2-one (PubChem CID 139418555) has the molecular formula C11H17N3O4 and a molecular weight of 255.27 g/mol. Its IUPAC name is 4-amino-1-[5-(2-hydroxyethyl)oxolan-2-yl]-5-(hydroxymethyl)pyrimidin-2-one.

Molecular Properties

Compound Name4-amino-1-[5-(2-hydroxyethyl)oxolan-2-yl]-5-(hydroxymethyl)pyrimidin-2-one
PubChem CID139418555
Molecular FormulaC11H17N3O4
Molecular Weight255.27 g/mol
Exact Mass255.12
IUPAC Name4-amino-1-[5-(2-hydroxyethyl)oxolan-2-yl]-5-(hydroxymethyl)pyrimidin-2-one
SMILESNc1nc(=O)n(C2CCC(CCO)O2)cc1CO
InChIInChI=1S/C11H17N3O4/c12-10-7(6-16)5-14(11(17)13-10)9-2-1-8(18-9)3-4-15/h5,8-9,15-16H,1-4,6H2,(H2,12,13,17)
InChIKeyHXGLZNIBWJSLRJ-UHFFFAOYSA-N
XLogP-0.62
TPSA110.60 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 5-0.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[5-(2-hydroxyethyl)oxolan-2-yl]-5-(hydroxymethyl)pyrimidin-2-one?
The IUPAC name of 4-amino-1-[5-(2-hydroxyethyl)oxolan-2-yl]-5-(hydroxymethyl)pyrimidin-2-one (CID 139418555) is 4-amino-1-[5-(2-hydroxyethyl)oxolan-2-yl]-5-(hydroxymethyl)pyrimidin-2-one.
What is the SMILES notation for 4-amino-1-[5-(2-hydroxyethyl)oxolan-2-yl]-5-(hydroxymethyl)pyrimidin-2-one?
The canonical SMILES for 4-amino-1-[5-(2-hydroxyethyl)oxolan-2-yl]-5-(hydroxymethyl)pyrimidin-2-one is Nc1nc(=O)n(C2CCC(CCO)O2)cc1CO.
What is the InChIKey of 4-amino-1-[5-(2-hydroxyethyl)oxolan-2-yl]-5-(hydroxymethyl)pyrimidin-2-one?
The InChIKey is HXGLZNIBWJSLRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4/c12-10-7(6-16)5-14(11(17)13-10)9-2-1-8(18-9)3-4-15/h5,8-9,15-16H,1-4,6H2,(H2,12,13,17).
What are the key properties of 4-amino-1-[5-(2-hydroxyethyl)oxolan-2-yl]-5-(hydroxymethyl)pyrimidin-2-one?
4-amino-1-[5-(2-hydroxyethyl)oxolan-2-yl]-5-(hydroxymethyl)pyrimidin-2-one has a molecular weight of 255.27 g/mol, XLogP of -0.62, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[5-(2-hydroxyethyl)oxolan-2-yl]-5-(hydroxymethyl)pyrimidin-2-one is sourced from PubChem (CID 139418555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).