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

C10H12N4O3 — CID 164912267

IUPACN-[3-(4-amino-1-methyl-2-oxopyrimidin-5-yl)prop-2-ynyl]-2-hydroxyacetamide
SMILESCn1cc(C#CCNC(=O)CO)c(N)nc1=O
InChIInChI=1S/C10H12N4O3/c1-14-5-7(9(11)13-10(14)17)3-2-4-12-8(16)6-15/h5,15H,4,6H2,1H3,(H,12,16)(H2,11,13,17)
InChIKeyNVINYCFXARJJRC-UHFFFAOYSA-N
MW236.23 g/mol
LogP-2.18
Rot. Bonds2

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

N-[3-(4-amino-1-methyl-2-oxopyrimidin-5-yl)prop-2-ynyl]-2-hydroxyacetamide (PubChem CID 164912267) has the molecular formula C10H12N4O3 and a molecular weight of 236.23 g/mol. Its IUPAC name is N-[3-(4-amino-1-methyl-2-oxopyrimidin-5-yl)prop-2-ynyl]-2-hydroxyacetamide.

Molecular Properties

Compound NameN-[3-(4-amino-1-methyl-2-oxopyrimidin-5-yl)prop-2-ynyl]-2-hydroxyacetamide
PubChem CID164912267
Molecular FormulaC10H12N4O3
Molecular Weight236.23 g/mol
Exact Mass236.09
IUPAC NameN-[3-(4-amino-1-methyl-2-oxopyrimidin-5-yl)prop-2-ynyl]-2-hydroxyacetamide
SMILESCn1cc(C#CCNC(=O)CO)c(N)nc1=O
InChIInChI=1S/C10H12N4O3/c1-14-5-7(9(11)13-10(14)17)3-2-4-12-8(16)6-15/h5,15H,4,6H2,1H3,(H,12,16)(H2,11,13,17)
InChIKeyNVINYCFXARJJRC-UHFFFAOYSA-N
XLogP-2.18
TPSA110.24 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.23
LogP ≤ 5-2.18
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-1-methyl-2-oxopyrimidin-5-yl)prop-2-ynyl]-2-hydroxyacetamide?
The IUPAC name of N-[3-(4-amino-1-methyl-2-oxopyrimidin-5-yl)prop-2-ynyl]-2-hydroxyacetamide (CID 164912267) is N-[3-(4-amino-1-methyl-2-oxopyrimidin-5-yl)prop-2-ynyl]-2-hydroxyacetamide.
What is the SMILES notation for N-[3-(4-amino-1-methyl-2-oxopyrimidin-5-yl)prop-2-ynyl]-2-hydroxyacetamide?
The canonical SMILES for N-[3-(4-amino-1-methyl-2-oxopyrimidin-5-yl)prop-2-ynyl]-2-hydroxyacetamide is 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?
The InChIKey is NVINYCFXARJJRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O3/c1-14-5-7(9(11)13-10(14)17)3-2-4-12-8(16)6-15/h5,15H,4,6H2,1H3,(H,12,16)(H2,11,13,17).
What are the key properties of N-[3-(4-amino-1-methyl-2-oxopyrimidin-5-yl)prop-2-ynyl]-2-hydroxyacetamide?
N-[3-(4-amino-1-methyl-2-oxopyrimidin-5-yl)prop-2-ynyl]-2-hydroxyacetamide has a molecular weight of 236.23 g/mol, XLogP of -2.18, 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 is sourced from PubChem (CID 164912267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).