N-[3-(4-amino-1-methyl-2-oxopyrimidin-5-yl)prop-2-ynyl]-2-hydroxyacetamide;ethane

C12H18N4O3 — CID 164912266

IUPACN-[3-(4-amino-1-methyl-2-oxopyrimidin-5-yl)prop-2-ynyl]-2-hydroxyacetamide;ethane
SMILESCC.Cn1cc(C#CCNC(=O)CO)c(N)nc1=O
InChIInChI=1S/C10H12N4O3.C2H6/c1-14-5-7(9(11)13-10(14)17)3-2-4-12-8(16)6-15;1-2/h5,15H,4,6H2,1H3,(H,12,16)(H2,11,13,17);1-2H3
InChIKeyQEYGQRRJDALIDQ-UHFFFAOYSA-N
MW266.30 g/mol
LogP-1.15
Rot. Bonds2

About N-[3-(4-amino-1-methyl-2-oxopyrimidin-5-yl)prop-2-ynyl]-2-hydroxyacetamide;ethane

N-[3-(4-amino-1-methyl-2-oxopyrimidin-5-yl)prop-2-ynyl]-2-hydroxyacetamide;ethane (PubChem CID 164912266) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is N-[3-(4-amino-1-methyl-2-oxopyrimidin-5-yl)prop-2-ynyl]-2-hydroxyacetamide;ethane.

Molecular Properties

Compound NameN-[3-(4-amino-1-methyl-2-oxopyrimidin-5-yl)prop-2-ynyl]-2-hydroxyacetamide;ethane
PubChem CID164912266
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC NameN-[3-(4-amino-1-methyl-2-oxopyrimidin-5-yl)prop-2-ynyl]-2-hydroxyacetamide;ethane
SMILESCC.Cn1cc(C#CCNC(=O)CO)c(N)nc1=O
InChIInChI=1S/C10H12N4O3.C2H6/c1-14-5-7(9(11)13-10(14)17)3-2-4-12-8(16)6-15;1-2/h5,15H,4,6H2,1H3,(H,12,16)(H2,11,13,17);1-2H3
InChIKeyQEYGQRRJDALIDQ-UHFFFAOYSA-N
XLogP-1.15
TPSA110.24 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 5-1.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(4-amino-1-methyl-2-oxopyrimidin-5-yl)prop-2-ynyl]acetamide;ethane
CID 163281741
N-[3-(4-amino-1-methyl-2-oxopyrimidin-5-yl)prop-2-ynyl]acetamide
CID 163281742
N-[3-(4-amino-1-methyl-2-oxopyrimidin-5-yl)prop-2-ynyl]acetamide;ethane
CID 166551904
N-[3-(4-amino-1-methyl-2-oxopyrimidin-5-yl)prop-2-ynyl]-2-propoxyacetamide;ethane
CID 166551942
N-[3-(4-amino-1-methyl-2-oxopyrimidin-5-yl)prop-2-ynyl]-2-(3-methylbutoxy)acetamide;ethane
CID 166552015
N-[3-(4-amino-2-oxo-1-propan-2-ylpyrimidin-5-yl)prop-2-ynyl]-2-propoxyacetamide;ethane
CID 166552023
N-[3-(4-amino-2-oxo-1-propan-2-ylpyrimidin-5-yl)prop-2-ynyl]-2-propoxyacetamide
CID 166552024
N-[3-(4-amino-1-methyl-2-oxopyrimidin-5-yl)prop-2-ynyl]acetamide;ethane
CID 166552136
N-[3-(4-amino-2-oxo-1-propan-2-ylpyrimidin-5-yl)prop-2-ynyl]-2-hydroxyacetamide
CID 171461812
N-[3-(4-amino-1-methyl-2-oxopyrimidin-5-yl)prop-2-ynyl]-2-hydroxyacetamide
CID 164912267
N-[3-(4-amino-1-methyl-2-oxopyrimidin-5-yl)prop-2-ynyl]-2-propoxyacetamide
CID 166551943
N-[3-(4-amino-1-methyl-2-oxopyrimidin-5-yl)prop-2-ynyl]-2-(3-methylbutoxy)acetamide
CID 166552016

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-amino-1-methyl-2-oxopyrimidin-5-yl)prop-2-ynyl]-2-hydroxyacetamide;ethane?
The IUPAC name of N-[3-(4-amino-1-methyl-2-oxopyrimidin-5-yl)prop-2-ynyl]-2-hydroxyacetamide;ethane (CID 164912266) is N-[3-(4-amino-1-methyl-2-oxopyrimidin-5-yl)prop-2-ynyl]-2-hydroxyacetamide;ethane.
What is the SMILES notation for N-[3-(4-amino-1-methyl-2-oxopyrimidin-5-yl)prop-2-ynyl]-2-hydroxyacetamide;ethane?
The canonical SMILES for N-[3-(4-amino-1-methyl-2-oxopyrimidin-5-yl)prop-2-ynyl]-2-hydroxyacetamide;ethane is CC.Cn1cc(C#CCNC(=O)CO)c(N)nc1=O.
What is the InChIKey of N-[3-(4-amino-1-methyl-2-oxopyrimidin-5-yl)prop-2-ynyl]-2-hydroxyacetamide;ethane?
The InChIKey is QEYGQRRJDALIDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O3.C2H6/c1-14-5-7(9(11)13-10(14)17)3-2-4-12-8(16)6-15;1-2/h5,15H,4,6H2,1H3,(H,12,16)(H2,11,13,17);1-2H3.
What are the key properties of N-[3-(4-amino-1-methyl-2-oxopyrimidin-5-yl)prop-2-ynyl]-2-hydroxyacetamide;ethane?
N-[3-(4-amino-1-methyl-2-oxopyrimidin-5-yl)prop-2-ynyl]-2-hydroxyacetamide;ethane has a molecular weight of 266.30 g/mol, XLogP of -1.15, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-amino-1-methyl-2-oxopyrimidin-5-yl)prop-2-ynyl]-2-hydroxyacetamide;ethane is sourced from PubChem (CID 164912266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).