4-amino-1-[(2R,3S,4S,5R)-3-ethyl-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one

C11H17N3O4 — CID 3037010

IUPAC4-amino-1-[(2R,3S,4S,5R)-3-ethyl-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
SMILESCC[C@H]1[C@H](O)[C@@H](CO)O[C@H]1n1ccc(N)nc1=O
InChIInChI=1S/C11H17N3O4/c1-2-6-9(16)7(5-15)18-10(6)14-4-3-8(12)13-11(14)17/h3-4,6-7,9-10,15-16H,2,5H2,1H3,(H2,12,13,17)/t6-,7+,9-,10+/m0/s1
InChIKeyMSGGUKMUWYJOIJ-WPYKOPORSA-N
MW255.27 g/mol
LogP-0.90
Rot. Bonds3

About 4-amino-1-[(2R,3S,4S,5R)-3-ethyl-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one

4-amino-1-[(2R,3S,4S,5R)-3-ethyl-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one (PubChem CID 3037010) has the molecular formula C11H17N3O4 and a molecular weight of 255.27 g/mol. Its IUPAC name is 4-amino-1-[(2R,3S,4S,5R)-3-ethyl-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one.

Molecular Properties

Compound Name4-amino-1-[(2R,3S,4S,5R)-3-ethyl-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
PubChem CID3037010
Molecular FormulaC11H17N3O4
Molecular Weight255.27 g/mol
Exact Mass255.12
IUPAC Name4-amino-1-[(2R,3S,4S,5R)-3-ethyl-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
SMILESCC[C@H]1[C@H](O)[C@@H](CO)O[C@H]1n1ccc(N)nc1=O
InChIInChI=1S/C11H17N3O4/c1-2-6-9(16)7(5-15)18-10(6)14-4-3-8(12)13-11(14)17/h3-4,6-7,9-10,15-16H,2,5H2,1H3,(H2,12,13,17)/t6-,7+,9-,10+/m0/s1
InChIKeyMSGGUKMUWYJOIJ-WPYKOPORSA-N
XLogP-0.90
TPSA110.60 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 5-0.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[(2R,3S,4S,5R)-3-ethyl-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one?
The IUPAC name of 4-amino-1-[(2R,3S,4S,5R)-3-ethyl-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one (CID 3037010) is 4-amino-1-[(2R,3S,4S,5R)-3-ethyl-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one.
What is the SMILES notation for 4-amino-1-[(2R,3S,4S,5R)-3-ethyl-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one?
The canonical SMILES for 4-amino-1-[(2R,3S,4S,5R)-3-ethyl-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one is CC[C@H]1[C@H](O)[C@@H](CO)O[C@H]1n1ccc(N)nc1=O.
What is the InChIKey of 4-amino-1-[(2R,3S,4S,5R)-3-ethyl-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one?
The InChIKey is MSGGUKMUWYJOIJ-WPYKOPORSA-N. The full InChI is InChI=1S/C11H17N3O4/c1-2-6-9(16)7(5-15)18-10(6)14-4-3-8(12)13-11(14)17/h3-4,6-7,9-10,15-16H,2,5H2,1H3,(H2,12,13,17)/t6-,7+,9-,10+/m0/s1.
What are the key properties of 4-amino-1-[(2R,3S,4S,5R)-3-ethyl-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one?
4-amino-1-[(2R,3S,4S,5R)-3-ethyl-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one has a molecular weight of 255.27 g/mol, XLogP of -0.90, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[(2R,3S,4S,5R)-3-ethyl-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one is sourced from PubChem (CID 3037010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).