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

C13H23N5O4 — CID 167121775

IUPAC2-(4-amino-2-hydroxy-2H-pyrimidin-1-yl)-N-[(2R)-3-hydroxy-2-(methylamino)propyl]-N-(2-oxopropyl)acetamide
SMILESCN[C@@H](CO)CN(CC(C)=O)C(=O)CN1C=CC(N)=NC1O
InChIInChI=1S/C13H23N5O4/c1-9(20)5-18(6-10(8-19)15-2)12(21)7-17-4-3-11(14)16-13(17)22/h3-4,10,13,15,19,22H,5-8H2,1-2H3,(H2,14,16)/t10-,13?/m1/s1
InChIKeyXUWVNEPUMJHHIM-VUUHIHSGSA-N
MW313.36 g/mol
LogP-2.55
Rot. Bonds8

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

2-(4-amino-2-hydroxy-2H-pyrimidin-1-yl)-N-[(2R)-3-hydroxy-2-(methylamino)propyl]-N-(2-oxopropyl)acetamide (PubChem CID 167121775) has the molecular formula C13H23N5O4 and a molecular weight of 313.36 g/mol. Its IUPAC name is 2-(4-amino-2-hydroxy-2H-pyrimidin-1-yl)-N-[(2R)-3-hydroxy-2-(methylamino)propyl]-N-(2-oxopropyl)acetamide.

Molecular Properties

Compound Name2-(4-amino-2-hydroxy-2H-pyrimidin-1-yl)-N-[(2R)-3-hydroxy-2-(methylamino)propyl]-N-(2-oxopropyl)acetamide
PubChem CID167121775
Molecular FormulaC13H23N5O4
Molecular Weight313.36 g/mol
Exact Mass313.18
IUPAC Name2-(4-amino-2-hydroxy-2H-pyrimidin-1-yl)-N-[(2R)-3-hydroxy-2-(methylamino)propyl]-N-(2-oxopropyl)acetamide
SMILESCN[C@@H](CO)CN(CC(C)=O)C(=O)CN1C=CC(N)=NC1O
InChIInChI=1S/C13H23N5O4/c1-9(20)5-18(6-10(8-19)15-2)12(21)7-17-4-3-11(14)16-13(17)22/h3-4,10,13,15,19,22H,5-8H2,1-2H3,(H2,14,16)/t10-,13?/m1/s1
InChIKeyXUWVNEPUMJHHIM-VUUHIHSGSA-N
XLogP-2.55
TPSA131.49 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 5-2.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-2-hydroxy-2H-pyrimidin-1-yl)-N-[(2R)-3-hydroxy-2-(methylamino)propyl]-N-(2-oxopropyl)acetamide?
The IUPAC name of 2-(4-amino-2-hydroxy-2H-pyrimidin-1-yl)-N-[(2R)-3-hydroxy-2-(methylamino)propyl]-N-(2-oxopropyl)acetamide (CID 167121775) is 2-(4-amino-2-hydroxy-2H-pyrimidin-1-yl)-N-[(2R)-3-hydroxy-2-(methylamino)propyl]-N-(2-oxopropyl)acetamide.
What is the SMILES notation for 2-(4-amino-2-hydroxy-2H-pyrimidin-1-yl)-N-[(2R)-3-hydroxy-2-(methylamino)propyl]-N-(2-oxopropyl)acetamide?
The canonical SMILES for 2-(4-amino-2-hydroxy-2H-pyrimidin-1-yl)-N-[(2R)-3-hydroxy-2-(methylamino)propyl]-N-(2-oxopropyl)acetamide is CN[C@@H](CO)CN(CC(C)=O)C(=O)CN1C=CC(N)=NC1O.
What is the InChIKey of 2-(4-amino-2-hydroxy-2H-pyrimidin-1-yl)-N-[(2R)-3-hydroxy-2-(methylamino)propyl]-N-(2-oxopropyl)acetamide?
The InChIKey is XUWVNEPUMJHHIM-VUUHIHSGSA-N. The full InChI is InChI=1S/C13H23N5O4/c1-9(20)5-18(6-10(8-19)15-2)12(21)7-17-4-3-11(14)16-13(17)22/h3-4,10,13,15,19,22H,5-8H2,1-2H3,(H2,14,16)/t10-,13?/m1/s1.
What are the key properties of 2-(4-amino-2-hydroxy-2H-pyrimidin-1-yl)-N-[(2R)-3-hydroxy-2-(methylamino)propyl]-N-(2-oxopropyl)acetamide?
2-(4-amino-2-hydroxy-2H-pyrimidin-1-yl)-N-[(2R)-3-hydroxy-2-(methylamino)propyl]-N-(2-oxopropyl)acetamide has a molecular weight of 313.36 g/mol, XLogP of -2.55, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-2-hydroxy-2H-pyrimidin-1-yl)-N-[(2R)-3-hydroxy-2-(methylamino)propyl]-N-(2-oxopropyl)acetamide is sourced from PubChem (CID 167121775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).