4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxo-N-(2-phenylethyl)pyrimidine-5-carboxamide

C18H22N4O5 — CID 174798440

IUPAC4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxo-N-(2-phenylethyl)pyrimidine-5-carboxamide
SMILESNc1nc(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1C(=O)NCCc1ccccc1
InChIInChI=1S/C18H22N4O5/c19-16-12(17(25)20-7-6-11-4-2-1-3-5-11)9-22(18(26)21-16)15-8-13(24)14(10-23)27-15/h1-5,9,13-15,23-24H,6-8,10H2,(H,20,25)(H2,19,21,26)/t13-,14+,15+/m0/s1
InChIKeyVVAFWWKHZQNWEZ-RRFJBIMHSA-N
MW374.40 g/mol
LogP-0.56
Rot. Bonds6

About 4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxo-N-(2-phenylethyl)pyrimidine-5-carboxamide

4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxo-N-(2-phenylethyl)pyrimidine-5-carboxamide (PubChem CID 174798440) has the molecular formula C18H22N4O5 and a molecular weight of 374.40 g/mol. Its IUPAC name is 4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxo-N-(2-phenylethyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxo-N-(2-phenylethyl)pyrimidine-5-carboxamide
PubChem CID174798440
Molecular FormulaC18H22N4O5
Molecular Weight374.40 g/mol
Exact Mass374.16
IUPAC Name4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxo-N-(2-phenylethyl)pyrimidine-5-carboxamide
SMILESNc1nc(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1C(=O)NCCc1ccccc1
InChIInChI=1S/C18H22N4O5/c19-16-12(17(25)20-7-6-11-4-2-1-3-5-11)9-22(18(26)21-16)15-8-13(24)14(10-23)27-15/h1-5,9,13-15,23-24H,6-8,10H2,(H,20,25)(H2,19,21,26)/t13-,14+,15+/m0/s1
InChIKeyVVAFWWKHZQNWEZ-RRFJBIMHSA-N
XLogP-0.56
TPSA139.70 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 5-0.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Related Compounds

4-amino-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidine-5-carboxylic acid
CID 23112726
5-acetyl-4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 72736985
4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-phenylpyrimidin-2-one
CID 5274196
2-[4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-5-yl]acetic acid
CID 54053326
4-amino-N-benzyl-1-[(2R,3S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-2-oxopyrimidine-5-carboxamide;4-amino-1-[(2R,3S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-N-(naphthalen-1-ylmethyl)-2-oxopyrimidine-5-carboxamide;4-amino-1-[(2R,3S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-2-oxo-N-(2-phenylethyl)pyrimidine-5-carboxamide;4-amino-1-[(2R,3S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-2-oxo-N-(3-phenylpropyl)pyrimidine-5-carboxamide
CID 161248707
4-amino-1-[(2R,4R,5R)-3-methyl-4-propan-2-yloxy-5-(propan-2-yloxymethyl)oxolan-2-yl]-2-oxo-N-(2-phenylethyl)pyrimidine-5-carboxamide
CID 122425313
4-amino-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidin-2-one;ethane
CID 144939654
4-amino-5-ethynyl-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 139061383
4-amino-5-(2-chloroethenyl)-1-[(2R,4R,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 87921528
4-amino-5-(2-hydroxyethylsulfanylmethyl)-1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 66718239
4-amino-1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(methoxymethyl)pyrimidin-2-one
CID 57123438
4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-[(E)-3-oxobut-1-enyl]pyrimidin-2-one
CID 70564122

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxo-N-(2-phenylethyl)pyrimidine-5-carboxamide?
The IUPAC name of 4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxo-N-(2-phenylethyl)pyrimidine-5-carboxamide (CID 174798440) is 4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxo-N-(2-phenylethyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxo-N-(2-phenylethyl)pyrimidine-5-carboxamide?
The canonical SMILES for 4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxo-N-(2-phenylethyl)pyrimidine-5-carboxamide is Nc1nc(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1C(=O)NCCc1ccccc1.
What is the InChIKey of 4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxo-N-(2-phenylethyl)pyrimidine-5-carboxamide?
The InChIKey is VVAFWWKHZQNWEZ-RRFJBIMHSA-N. The full InChI is InChI=1S/C18H22N4O5/c19-16-12(17(25)20-7-6-11-4-2-1-3-5-11)9-22(18(26)21-16)15-8-13(24)14(10-23)27-15/h1-5,9,13-15,23-24H,6-8,10H2,(H,20,25)(H2,19,21,26)/t13-,14+,15+/m0/s1.
What are the key properties of 4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxo-N-(2-phenylethyl)pyrimidine-5-carboxamide?
4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxo-N-(2-phenylethyl)pyrimidine-5-carboxamide has a molecular weight of 374.40 g/mol, XLogP of -0.56, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxo-N-(2-phenylethyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 174798440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).