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

C10H12N4O2 — CID 163281742

IUPACN-[3-(4-amino-1-methyl-2-oxopyrimidin-5-yl)prop-2-ynyl]acetamide
SMILESCC(=O)NCC#Cc1cn(C)c(=O)nc1N
InChIInChI=1S/C10H12N4O2/c1-7(15)12-5-3-4-8-6-14(2)10(16)13-9(8)11/h6H,5H2,1-2H3,(H,12,15)(H2,11,13,16)
InChIKeyRSBBZLWTFUPRKO-UHFFFAOYSA-N
MW220.23 g/mol
LogP-1.15
Rot. Bonds1

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

N-[3-(4-amino-1-methyl-2-oxopyrimidin-5-yl)prop-2-ynyl]acetamide (PubChem CID 163281742) has the molecular formula C10H12N4O2 and a molecular weight of 220.23 g/mol. Its IUPAC name is N-[3-(4-amino-1-methyl-2-oxopyrimidin-5-yl)prop-2-ynyl]acetamide.

Molecular Properties

Compound NameN-[3-(4-amino-1-methyl-2-oxopyrimidin-5-yl)prop-2-ynyl]acetamide
PubChem CID163281742
Molecular FormulaC10H12N4O2
Molecular Weight220.23 g/mol
Exact Mass220.10
IUPAC NameN-[3-(4-amino-1-methyl-2-oxopyrimidin-5-yl)prop-2-ynyl]acetamide
SMILESCC(=O)NCC#Cc1cn(C)c(=O)nc1N
InChIInChI=1S/C10H12N4O2/c1-7(15)12-5-3-4-8-6-14(2)10(16)13-9(8)11/h6H,5H2,1-2H3,(H,12,15)(H2,11,13,16)
InChIKeyRSBBZLWTFUPRKO-UHFFFAOYSA-N
XLogP-1.15
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 5-1.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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]acetamide?
The IUPAC name of N-[3-(4-amino-1-methyl-2-oxopyrimidin-5-yl)prop-2-ynyl]acetamide (CID 163281742) is N-[3-(4-amino-1-methyl-2-oxopyrimidin-5-yl)prop-2-ynyl]acetamide.
What is the SMILES notation for N-[3-(4-amino-1-methyl-2-oxopyrimidin-5-yl)prop-2-ynyl]acetamide?
The canonical SMILES for N-[3-(4-amino-1-methyl-2-oxopyrimidin-5-yl)prop-2-ynyl]acetamide is CC(=O)NCC#Cc1cn(C)c(=O)nc1N.
What is the InChIKey of N-[3-(4-amino-1-methyl-2-oxopyrimidin-5-yl)prop-2-ynyl]acetamide?
The InChIKey is RSBBZLWTFUPRKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2/c1-7(15)12-5-3-4-8-6-14(2)10(16)13-9(8)11/h6H,5H2,1-2H3,(H,12,15)(H2,11,13,16).
What are the key properties of N-[3-(4-amino-1-methyl-2-oxopyrimidin-5-yl)prop-2-ynyl]acetamide?
N-[3-(4-amino-1-methyl-2-oxopyrimidin-5-yl)prop-2-ynyl]acetamide has a molecular weight of 220.23 g/mol, XLogP of -1.15, 1 rotatable bonds, 2 hydrogen bond donors, and 5 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]acetamide is sourced from PubChem (CID 163281742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).