N-(5-amino-1-methyl-6-oxopyrimidin-2-yl)-N-methylacetamide

C8H12N4O2 — CID 70595247

IUPACN-(5-amino-1-methyl-6-oxopyrimidin-2-yl)-N-methylacetamide
SMILESCC(=O)N(C)c1ncc(N)c(=O)n1C
InChIInChI=1S/C8H12N4O2/c1-5(13)11(2)8-10-4-6(9)7(14)12(8)3/h4H,9H2,1-3H3
InChIKeySERJXVONRNIJPB-UHFFFAOYSA-N
MW196.21 g/mol
LogP-0.65
Rot. Bonds1

About N-(5-amino-1-methyl-6-oxopyrimidin-2-yl)-N-methylacetamide

N-(5-amino-1-methyl-6-oxopyrimidin-2-yl)-N-methylacetamide (PubChem CID 70595247) has the molecular formula C8H12N4O2 and a molecular weight of 196.21 g/mol. Its IUPAC name is N-(5-amino-1-methyl-6-oxopyrimidin-2-yl)-N-methylacetamide.

Molecular Properties

Compound NameN-(5-amino-1-methyl-6-oxopyrimidin-2-yl)-N-methylacetamide
PubChem CID70595247
Molecular FormulaC8H12N4O2
Molecular Weight196.21 g/mol
Exact Mass196.10
IUPAC NameN-(5-amino-1-methyl-6-oxopyrimidin-2-yl)-N-methylacetamide
SMILESCC(=O)N(C)c1ncc(N)c(=O)n1C
InChIInChI=1S/C8H12N4O2/c1-5(13)11(2)8-10-4-6(9)7(14)12(8)3/h4H,9H2,1-3H3
InChIKeySERJXVONRNIJPB-UHFFFAOYSA-N
XLogP-0.65
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 5-0.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-amino-1-methyl-6-oxopyrimidin-2-yl)-N-methylacetamide?
The IUPAC name of N-(5-amino-1-methyl-6-oxopyrimidin-2-yl)-N-methylacetamide (CID 70595247) is N-(5-amino-1-methyl-6-oxopyrimidin-2-yl)-N-methylacetamide.
What is the SMILES notation for N-(5-amino-1-methyl-6-oxopyrimidin-2-yl)-N-methylacetamide?
The canonical SMILES for N-(5-amino-1-methyl-6-oxopyrimidin-2-yl)-N-methylacetamide is CC(=O)N(C)c1ncc(N)c(=O)n1C.
What is the InChIKey of N-(5-amino-1-methyl-6-oxopyrimidin-2-yl)-N-methylacetamide?
The InChIKey is SERJXVONRNIJPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O2/c1-5(13)11(2)8-10-4-6(9)7(14)12(8)3/h4H,9H2,1-3H3.
What are the key properties of N-(5-amino-1-methyl-6-oxopyrimidin-2-yl)-N-methylacetamide?
N-(5-amino-1-methyl-6-oxopyrimidin-2-yl)-N-methylacetamide has a molecular weight of 196.21 g/mol, XLogP of -0.65, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-1-methyl-6-oxopyrimidin-2-yl)-N-methylacetamide is sourced from PubChem (CID 70595247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).