N-[3-(4-amino-2-oxo-1-propan-2-ylpyrimidin-5-yl)prop-2-ynyl]-2-hydroxyacetamide

C12H16N4O3 — CID 171461812

IUPACN-[3-(4-amino-2-oxo-1-propan-2-ylpyrimidin-5-yl)prop-2-ynyl]-2-hydroxyacetamide
SMILESCC(C)n1cc(C#CCNC(=O)CO)c(N)nc1=O
InChIInChI=1S/C12H16N4O3/c1-8(2)16-6-9(11(13)15-12(16)19)4-3-5-14-10(18)7-17/h6,8,17H,5,7H2,1-2H3,(H,14,18)(H2,13,15,19)
InChIKeyQGMLTGXQJYELRL-UHFFFAOYSA-N
MW264.29 g/mol
LogP-1.13
Rot. Bonds3

About N-[3-(4-amino-2-oxo-1-propan-2-ylpyrimidin-5-yl)prop-2-ynyl]-2-hydroxyacetamide

N-[3-(4-amino-2-oxo-1-propan-2-ylpyrimidin-5-yl)prop-2-ynyl]-2-hydroxyacetamide (PubChem CID 171461812) has the molecular formula C12H16N4O3 and a molecular weight of 264.29 g/mol. Its IUPAC name is N-[3-(4-amino-2-oxo-1-propan-2-ylpyrimidin-5-yl)prop-2-ynyl]-2-hydroxyacetamide.

Molecular Properties

Compound NameN-[3-(4-amino-2-oxo-1-propan-2-ylpyrimidin-5-yl)prop-2-ynyl]-2-hydroxyacetamide
PubChem CID171461812
Molecular FormulaC12H16N4O3
Molecular Weight264.29 g/mol
Exact Mass264.12
IUPAC NameN-[3-(4-amino-2-oxo-1-propan-2-ylpyrimidin-5-yl)prop-2-ynyl]-2-hydroxyacetamide
SMILESCC(C)n1cc(C#CCNC(=O)CO)c(N)nc1=O
InChIInChI=1S/C12H16N4O3/c1-8(2)16-6-9(11(13)15-12(16)19)4-3-5-14-10(18)7-17/h6,8,17H,5,7H2,1-2H3,(H,14,18)(H2,13,15,19)
InChIKeyQGMLTGXQJYELRL-UHFFFAOYSA-N
XLogP-1.13
TPSA110.24 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 5-1.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-amino-2-oxo-1-propan-2-ylpyrimidin-5-yl)prop-2-ynyl]-2-hydroxyacetamide?
The IUPAC name of N-[3-(4-amino-2-oxo-1-propan-2-ylpyrimidin-5-yl)prop-2-ynyl]-2-hydroxyacetamide (CID 171461812) is N-[3-(4-amino-2-oxo-1-propan-2-ylpyrimidin-5-yl)prop-2-ynyl]-2-hydroxyacetamide.
What is the SMILES notation for N-[3-(4-amino-2-oxo-1-propan-2-ylpyrimidin-5-yl)prop-2-ynyl]-2-hydroxyacetamide?
The canonical SMILES for N-[3-(4-amino-2-oxo-1-propan-2-ylpyrimidin-5-yl)prop-2-ynyl]-2-hydroxyacetamide is CC(C)n1cc(C#CCNC(=O)CO)c(N)nc1=O.
What is the InChIKey of N-[3-(4-amino-2-oxo-1-propan-2-ylpyrimidin-5-yl)prop-2-ynyl]-2-hydroxyacetamide?
The InChIKey is QGMLTGXQJYELRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O3/c1-8(2)16-6-9(11(13)15-12(16)19)4-3-5-14-10(18)7-17/h6,8,17H,5,7H2,1-2H3,(H,14,18)(H2,13,15,19).
What are the key properties of N-[3-(4-amino-2-oxo-1-propan-2-ylpyrimidin-5-yl)prop-2-ynyl]-2-hydroxyacetamide?
N-[3-(4-amino-2-oxo-1-propan-2-ylpyrimidin-5-yl)prop-2-ynyl]-2-hydroxyacetamide has a molecular weight of 264.29 g/mol, XLogP of -1.13, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-amino-2-oxo-1-propan-2-ylpyrimidin-5-yl)prop-2-ynyl]-2-hydroxyacetamide is sourced from PubChem (CID 171461812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).