4-amino-1-[(2R,3R,4R)-3,4-dihydroxyoxolan-2-yl]pyrimidin-2-one

C8H11N3O4 — CID 14443627

IUPAC4-amino-1-[(2R,3R,4R)-3,4-dihydroxyoxolan-2-yl]pyrimidin-2-one
SMILESNc1ccn([C@@H]2OC[C@@H](O)[C@H]2O)c(=O)n1
InChIInChI=1S/C8H11N3O4/c9-5-1-2-11(8(14)10-5)7-6(13)4(12)3-15-7/h1-2,4,6-7,12-13H,3H2,(H2,9,10,14)/t4-,6-,7-/m1/s1
InChIKeyRPXKLKGKUUDJFW-QPPQHZFASA-N
MW213.19 g/mol
LogP-1.92
Rot. Bonds1

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

4-amino-1-[(2R,3R,4R)-3,4-dihydroxyoxolan-2-yl]pyrimidin-2-one (PubChem CID 14443627) has the molecular formula C8H11N3O4 and a molecular weight of 213.19 g/mol. Its IUPAC name is 4-amino-1-[(2R,3R,4R)-3,4-dihydroxyoxolan-2-yl]pyrimidin-2-one.

Molecular Properties

Compound Name4-amino-1-[(2R,3R,4R)-3,4-dihydroxyoxolan-2-yl]pyrimidin-2-one
PubChem CID14443627
Molecular FormulaC8H11N3O4
Molecular Weight213.19 g/mol
Exact Mass213.07
IUPAC Name4-amino-1-[(2R,3R,4R)-3,4-dihydroxyoxolan-2-yl]pyrimidin-2-one
SMILESNc1ccn([C@@H]2OC[C@@H](O)[C@H]2O)c(=O)n1
InChIInChI=1S/C8H11N3O4/c9-5-1-2-11(8(14)10-5)7-6(13)4(12)3-15-7/h1-2,4,6-7,12-13H,3H2,(H2,9,10,14)/t4-,6-,7-/m1/s1
InChIKeyRPXKLKGKUUDJFW-QPPQHZFASA-N
XLogP-1.92
TPSA110.60 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.19
LogP ≤ 5-1.92
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,3R,4R)-3,4-dihydroxyoxolan-2-yl]pyrimidin-2-one?
The IUPAC name of 4-amino-1-[(2R,3R,4R)-3,4-dihydroxyoxolan-2-yl]pyrimidin-2-one (CID 14443627) is 4-amino-1-[(2R,3R,4R)-3,4-dihydroxyoxolan-2-yl]pyrimidin-2-one.
What is the SMILES notation for 4-amino-1-[(2R,3R,4R)-3,4-dihydroxyoxolan-2-yl]pyrimidin-2-one?
The canonical SMILES for 4-amino-1-[(2R,3R,4R)-3,4-dihydroxyoxolan-2-yl]pyrimidin-2-one is Nc1ccn([C@@H]2OC[C@@H](O)[C@H]2O)c(=O)n1.
What is the InChIKey of 4-amino-1-[(2R,3R,4R)-3,4-dihydroxyoxolan-2-yl]pyrimidin-2-one?
The InChIKey is RPXKLKGKUUDJFW-QPPQHZFASA-N. The full InChI is InChI=1S/C8H11N3O4/c9-5-1-2-11(8(14)10-5)7-6(13)4(12)3-15-7/h1-2,4,6-7,12-13H,3H2,(H2,9,10,14)/t4-,6-,7-/m1/s1.
What are the key properties of 4-amino-1-[(2R,3R,4R)-3,4-dihydroxyoxolan-2-yl]pyrimidin-2-one?
4-amino-1-[(2R,3R,4R)-3,4-dihydroxyoxolan-2-yl]pyrimidin-2-one has a molecular weight of 213.19 g/mol, XLogP of -1.92, 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,3R,4R)-3,4-dihydroxyoxolan-2-yl]pyrimidin-2-one is sourced from PubChem (CID 14443627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).