4-amino-1-[(2R,5S)-5-(2-hydroxyethyl)oxolan-2-yl]pyrimidin-2-one

C10H15N3O3 — CID 166811766

IUPAC4-amino-1-[(2R,5S)-5-(2-hydroxyethyl)oxolan-2-yl]pyrimidin-2-one
SMILESNc1ccn([C@H]2CC[C@@H](CCO)O2)c(=O)n1
InChIInChI=1S/C10H15N3O3/c11-8-3-5-13(10(15)12-8)9-2-1-7(16-9)4-6-14/h3,5,7,9,14H,1-2,4,6H2,(H2,11,12,15)/t7-,9+/m0/s1
InChIKeyNCHUBFASEANUMY-IONNQARKSA-N
MW225.25 g/mol
LogP-0.11
Rot. Bonds3

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

4-amino-1-[(2R,5S)-5-(2-hydroxyethyl)oxolan-2-yl]pyrimidin-2-one (PubChem CID 166811766) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is 4-amino-1-[(2R,5S)-5-(2-hydroxyethyl)oxolan-2-yl]pyrimidin-2-one.

Molecular Properties

Compound Name4-amino-1-[(2R,5S)-5-(2-hydroxyethyl)oxolan-2-yl]pyrimidin-2-one
PubChem CID166811766
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Name4-amino-1-[(2R,5S)-5-(2-hydroxyethyl)oxolan-2-yl]pyrimidin-2-one
SMILESNc1ccn([C@H]2CC[C@@H](CCO)O2)c(=O)n1
InChIInChI=1S/C10H15N3O3/c11-8-3-5-13(10(15)12-8)9-2-1-7(16-9)4-6-14/h3,5,7,9,14H,1-2,4,6H2,(H2,11,12,15)/t7-,9+/m0/s1
InChIKeyNCHUBFASEANUMY-IONNQARKSA-N
XLogP-0.11
TPSA90.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-1-[5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;methanol
CID 142192944
4-amino-1-[(2R,5S)-5-(chloromethyl)oxolan-2-yl]pyrimidin-2-one
CID 23261046
4-amino-1-[(2R,5S)-5-(iodomethyl)oxolan-2-yl]pyrimidin-2-one
CID 124518306
4-amino-1-[5-(nitrosomethyl)oxolan-2-yl]pyrimidin-2-one
CID 142117937
4-amino-1-[(2R)-5-(methoxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 174252906
4-amino-1-[(2R,5S)-5-(phenoxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 70382786
4-amino-1-[5-(2-hydroxyethyl)oxolan-2-yl]-5-(hydroxymethyl)pyrimidin-2-one
CID 139418555
4-amino-5-bromo-1-[5-(2-hydroxyethyl)oxolan-2-yl]pyrimidin-2-one
CID 139418545
[(2S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl methyl hydrogen phosphate
CID 130458181
[(2R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]oxymethylphosphonic acid
CID 24763733
[(2R,5S)-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl phosphono hydrogen phosphate;azane
CID 51051540
N-[[5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl]pyridine-4-carboxamide
CID 135248281

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[(2R,5S)-5-(2-hydroxyethyl)oxolan-2-yl]pyrimidin-2-one?
The IUPAC name of 4-amino-1-[(2R,5S)-5-(2-hydroxyethyl)oxolan-2-yl]pyrimidin-2-one (CID 166811766) is 4-amino-1-[(2R,5S)-5-(2-hydroxyethyl)oxolan-2-yl]pyrimidin-2-one.
What is the SMILES notation for 4-amino-1-[(2R,5S)-5-(2-hydroxyethyl)oxolan-2-yl]pyrimidin-2-one?
The canonical SMILES for 4-amino-1-[(2R,5S)-5-(2-hydroxyethyl)oxolan-2-yl]pyrimidin-2-one is Nc1ccn([C@H]2CC[C@@H](CCO)O2)c(=O)n1.
What is the InChIKey of 4-amino-1-[(2R,5S)-5-(2-hydroxyethyl)oxolan-2-yl]pyrimidin-2-one?
The InChIKey is NCHUBFASEANUMY-IONNQARKSA-N. The full InChI is InChI=1S/C10H15N3O3/c11-8-3-5-13(10(15)12-8)9-2-1-7(16-9)4-6-14/h3,5,7,9,14H,1-2,4,6H2,(H2,11,12,15)/t7-,9+/m0/s1.
What are the key properties of 4-amino-1-[(2R,5S)-5-(2-hydroxyethyl)oxolan-2-yl]pyrimidin-2-one?
4-amino-1-[(2R,5S)-5-(2-hydroxyethyl)oxolan-2-yl]pyrimidin-2-one has a molecular weight of 225.25 g/mol, XLogP of -0.11, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[(2R,5S)-5-(2-hydroxyethyl)oxolan-2-yl]pyrimidin-2-one is sourced from PubChem (CID 166811766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).