4-amino-1-[(2R,3S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-2-oxo-N-(2-phenylethyl)pyrimidine-5-carboxamide

C19H24N4O5 — CID 122425110

IUPAC4-amino-1-[(2R,3S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-2-oxo-N-(2-phenylethyl)pyrimidine-5-carboxamide
SMILESC[C@H]1C(O)[C@@H](CO)O[C@H]1n1cc(C(=O)NCCc2ccccc2)c(N)nc1=O
InChIInChI=1S/C19H24N4O5/c1-11-15(25)14(10-24)28-18(11)23-9-13(16(20)22-19(23)27)17(26)21-8-7-12-5-3-2-4-6-12/h2-6,9,11,14-15,18,24-25H,7-8,10H2,1H3,(H,21,26)(H2,20,22,27)/t11-,14+,15?,18+/m0/s1
InChIKeyICDHNQQJGZHLMP-ICFNCUHGSA-N
MW388.42 g/mol
LogP-0.32
Rot. Bonds6

About 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-(2-phenylethyl)pyrimidine-5-carboxamide (PubChem CID 122425110) has the molecular formula C19H24N4O5 and a molecular weight of 388.42 g/mol. Its IUPAC name is 4-amino-1-[(2R,3S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-2-oxo-N-(2-phenylethyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-amino-1-[(2R,3S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-2-oxo-N-(2-phenylethyl)pyrimidine-5-carboxamide
PubChem CID122425110
Molecular FormulaC19H24N4O5
Molecular Weight388.42 g/mol
Exact Mass388.17
IUPAC Name4-amino-1-[(2R,3S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-2-oxo-N-(2-phenylethyl)pyrimidine-5-carboxamide
SMILESC[C@H]1C(O)[C@@H](CO)O[C@H]1n1cc(C(=O)NCCc2ccccc2)c(N)nc1=O
InChIInChI=1S/C19H24N4O5/c1-11-15(25)14(10-24)28-18(11)23-9-13(16(20)22-19(23)27)17(26)21-8-7-12-5-3-2-4-6-12/h2-6,9,11,14-15,18,24-25H,7-8,10H2,1H3,(H,21,26)(H2,20,22,27)/t11-,14+,15?,18+/m0/s1
InChIKeyICDHNQQJGZHLMP-ICFNCUHGSA-N
XLogP-0.32
TPSA139.70 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 5-0.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[(2R,3S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-2-oxo-N-(2-phenylethyl)pyrimidine-5-carboxamide?
The IUPAC name of 4-amino-1-[(2R,3S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-2-oxo-N-(2-phenylethyl)pyrimidine-5-carboxamide (CID 122425110) is 4-amino-1-[(2R,3S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-2-oxo-N-(2-phenylethyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 4-amino-1-[(2R,3S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-2-oxo-N-(2-phenylethyl)pyrimidine-5-carboxamide?
The canonical SMILES for 4-amino-1-[(2R,3S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-2-oxo-N-(2-phenylethyl)pyrimidine-5-carboxamide is C[C@H]1C(O)[C@@H](CO)O[C@H]1n1cc(C(=O)NCCc2ccccc2)c(N)nc1=O.
What is the InChIKey of 4-amino-1-[(2R,3S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-2-oxo-N-(2-phenylethyl)pyrimidine-5-carboxamide?
The InChIKey is ICDHNQQJGZHLMP-ICFNCUHGSA-N. The full InChI is InChI=1S/C19H24N4O5/c1-11-15(25)14(10-24)28-18(11)23-9-13(16(20)22-19(23)27)17(26)21-8-7-12-5-3-2-4-6-12/h2-6,9,11,14-15,18,24-25H,7-8,10H2,1H3,(H,21,26)(H2,20,22,27)/t11-,14+,15?,18+/m0/s1.
What are the key properties of 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-(2-phenylethyl)pyrimidine-5-carboxamide has a molecular weight of 388.42 g/mol, XLogP of -0.32, 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,3S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-2-oxo-N-(2-phenylethyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 122425110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).