4-amino-1-[(2R,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]pyrimidin-2-one

C9H13N3O4 — CID 57122041

IUPAC4-amino-1-[(2R,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]pyrimidin-2-one
SMILESC[C@H]1O[C@@H](n2ccc(N)nc2=O)C(O)C1O
InChIInChI=1S/C9H13N3O4/c1-4-6(13)7(14)8(16-4)12-3-2-5(10)11-9(12)15/h2-4,6-8,13-14H,1H3,(H2,10,11,15)/t4-,6?,7?,8-/m1/s1
InChIKeyHLPAJQITBMEOML-AYZDMWBASA-N
MW227.22 g/mol
LogP-1.54
Rot. Bonds1

About 4-amino-1-[(2R,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]pyrimidin-2-one

4-amino-1-[(2R,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]pyrimidin-2-one (PubChem CID 57122041) has the molecular formula C9H13N3O4 and a molecular weight of 227.22 g/mol. Its IUPAC name is 4-amino-1-[(2R,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]pyrimidin-2-one.

Molecular Properties

Compound Name4-amino-1-[(2R,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]pyrimidin-2-one
PubChem CID57122041
Molecular FormulaC9H13N3O4
Molecular Weight227.22 g/mol
Exact Mass227.09
IUPAC Name4-amino-1-[(2R,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]pyrimidin-2-one
SMILESC[C@H]1O[C@@H](n2ccc(N)nc2=O)C(O)C1O
InChIInChI=1S/C9H13N3O4/c1-4-6(13)7(14)8(16-4)12-3-2-5(10)11-9(12)15/h2-4,6-8,13-14H,1H3,(H2,10,11,15)/t4-,6?,7?,8-/m1/s1
InChIKeyHLPAJQITBMEOML-AYZDMWBASA-N
XLogP-1.54
TPSA110.60 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.22
LogP ≤ 5-1.54
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,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]pyrimidin-2-one?
The IUPAC name of 4-amino-1-[(2R,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]pyrimidin-2-one (CID 57122041) is 4-amino-1-[(2R,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]pyrimidin-2-one.
What is the SMILES notation for 4-amino-1-[(2R,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]pyrimidin-2-one?
The canonical SMILES for 4-amino-1-[(2R,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]pyrimidin-2-one is C[C@H]1O[C@@H](n2ccc(N)nc2=O)C(O)C1O.
What is the InChIKey of 4-amino-1-[(2R,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]pyrimidin-2-one?
The InChIKey is HLPAJQITBMEOML-AYZDMWBASA-N. The full InChI is InChI=1S/C9H13N3O4/c1-4-6(13)7(14)8(16-4)12-3-2-5(10)11-9(12)15/h2-4,6-8,13-14H,1H3,(H2,10,11,15)/t4-,6?,7?,8-/m1/s1.
What are the key properties of 4-amino-1-[(2R,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]pyrimidin-2-one?
4-amino-1-[(2R,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]pyrimidin-2-one has a molecular weight of 227.22 g/mol, XLogP of -1.54, 1 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[(2R,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]pyrimidin-2-one is sourced from PubChem (CID 57122041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).