2-(4-amino-2-oxopyrimidin-1-yl)-N-[(2R)-3-hydroxy-2-(methylamino)propyl]-N-(2-oxopropyl)acetamide

C13H21N5O4 — CID 167213494

IUPAC2-(4-amino-2-oxopyrimidin-1-yl)-N-[(2R)-3-hydroxy-2-(methylamino)propyl]-N-(2-oxopropyl)acetamide
SMILESCN[C@@H](CO)CN(CC(C)=O)C(=O)Cn1ccc(N)nc1=O
InChIInChI=1S/C13H21N5O4/c1-9(20)5-18(6-10(8-19)15-2)12(21)7-17-4-3-11(14)16-13(17)22/h3-4,10,15,19H,5-8H2,1-2H3,(H2,14,16,22)/t10-/m1/s1
InChIKeyXVYDRULXLDKQMS-SNVBAGLBSA-N
MW311.34 g/mol
LogP-2.18
Rot. Bonds8

About 2-(4-amino-2-oxopyrimidin-1-yl)-N-[(2R)-3-hydroxy-2-(methylamino)propyl]-N-(2-oxopropyl)acetamide

2-(4-amino-2-oxopyrimidin-1-yl)-N-[(2R)-3-hydroxy-2-(methylamino)propyl]-N-(2-oxopropyl)acetamide (PubChem CID 167213494) has the molecular formula C13H21N5O4 and a molecular weight of 311.34 g/mol. Its IUPAC name is 2-(4-amino-2-oxopyrimidin-1-yl)-N-[(2R)-3-hydroxy-2-(methylamino)propyl]-N-(2-oxopropyl)acetamide.

Molecular Properties

Compound Name2-(4-amino-2-oxopyrimidin-1-yl)-N-[(2R)-3-hydroxy-2-(methylamino)propyl]-N-(2-oxopropyl)acetamide
PubChem CID167213494
Molecular FormulaC13H21N5O4
Molecular Weight311.34 g/mol
Exact Mass311.16
IUPAC Name2-(4-amino-2-oxopyrimidin-1-yl)-N-[(2R)-3-hydroxy-2-(methylamino)propyl]-N-(2-oxopropyl)acetamide
SMILESCN[C@@H](CO)CN(CC(C)=O)C(=O)Cn1ccc(N)nc1=O
InChIInChI=1S/C13H21N5O4/c1-9(20)5-18(6-10(8-19)15-2)12(21)7-17-4-3-11(14)16-13(17)22/h3-4,10,15,19H,5-8H2,1-2H3,(H2,14,16,22)/t10-/m1/s1
InChIKeyXVYDRULXLDKQMS-SNVBAGLBSA-N
XLogP-2.18
TPSA130.55 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 5-2.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-2-oxopyrimidin-1-yl)-N-[(2R)-3-hydroxy-2-(methylamino)propyl]-N-(2-oxopropyl)acetamide?
The IUPAC name of 2-(4-amino-2-oxopyrimidin-1-yl)-N-[(2R)-3-hydroxy-2-(methylamino)propyl]-N-(2-oxopropyl)acetamide (CID 167213494) is 2-(4-amino-2-oxopyrimidin-1-yl)-N-[(2R)-3-hydroxy-2-(methylamino)propyl]-N-(2-oxopropyl)acetamide.
What is the SMILES notation for 2-(4-amino-2-oxopyrimidin-1-yl)-N-[(2R)-3-hydroxy-2-(methylamino)propyl]-N-(2-oxopropyl)acetamide?
The canonical SMILES for 2-(4-amino-2-oxopyrimidin-1-yl)-N-[(2R)-3-hydroxy-2-(methylamino)propyl]-N-(2-oxopropyl)acetamide is CN[C@@H](CO)CN(CC(C)=O)C(=O)Cn1ccc(N)nc1=O.
What is the InChIKey of 2-(4-amino-2-oxopyrimidin-1-yl)-N-[(2R)-3-hydroxy-2-(methylamino)propyl]-N-(2-oxopropyl)acetamide?
The InChIKey is XVYDRULXLDKQMS-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H21N5O4/c1-9(20)5-18(6-10(8-19)15-2)12(21)7-17-4-3-11(14)16-13(17)22/h3-4,10,15,19H,5-8H2,1-2H3,(H2,14,16,22)/t10-/m1/s1.
What are the key properties of 2-(4-amino-2-oxopyrimidin-1-yl)-N-[(2R)-3-hydroxy-2-(methylamino)propyl]-N-(2-oxopropyl)acetamide?
2-(4-amino-2-oxopyrimidin-1-yl)-N-[(2R)-3-hydroxy-2-(methylamino)propyl]-N-(2-oxopropyl)acetamide has a molecular weight of 311.34 g/mol, XLogP of -2.18, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-2-oxopyrimidin-1-yl)-N-[(2R)-3-hydroxy-2-(methylamino)propyl]-N-(2-oxopropyl)acetamide is sourced from PubChem (CID 167213494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).