N-(2-cyanoethyl)-N-methyl-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide

C11H14N4O2 — CID 61225137

IUPACN-(2-cyanoethyl)-N-methyl-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide
SMILESCc1cc(=O)n(CC(=O)N(C)CCC#N)cn1
InChIInChI=1S/C11H14N4O2/c1-9-6-10(16)15(8-13-9)7-11(17)14(2)5-3-4-12/h6,8H,3,5,7H2,1-2H3
InChIKeyNEMZEGDWNVLQDL-UHFFFAOYSA-N
MW234.26 g/mol
LogP-0.08
Rot. Bonds4

About N-(2-cyanoethyl)-N-methyl-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide

N-(2-cyanoethyl)-N-methyl-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide (PubChem CID 61225137) has the molecular formula C11H14N4O2 and a molecular weight of 234.26 g/mol. Its IUPAC name is N-(2-cyanoethyl)-N-methyl-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-N-methyl-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide
PubChem CID61225137
Molecular FormulaC11H14N4O2
Molecular Weight234.26 g/mol
Exact Mass234.11
IUPAC NameN-(2-cyanoethyl)-N-methyl-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide
SMILESCc1cc(=O)n(CC(=O)N(C)CCC#N)cn1
InChIInChI=1S/C11H14N4O2/c1-9-6-10(16)15(8-13-9)7-11(17)14(2)5-3-4-12/h6,8H,3,5,7H2,1-2H3
InChIKeyNEMZEGDWNVLQDL-UHFFFAOYSA-N
XLogP-0.08
TPSA78.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 5-0.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-cyanoethyl)-N-methyl-2-(4-methyl-2-oxo-1-pyridinyl)acetamide
CID 55152553
N-(2-cyanoethyl)-2-(5,6-difluorobenzimidazol-1-yl)-N-methylacetamide
CID 99798757
2-(7-chloro-4-oxoquinazolin-3-yl)-N-(2-cyanoethyl)-N-methylacetamide
CID 30835547
N-(2-cyanoethyl)-N-methyl-2-(2-phenylimidazol-1-yl)acetamide
CID 61069381
4-[2-(4-methyl-6-oxopyrimidin-1-yl)acetyl]benzonitrile
CID 62025794
N-(2-cyanoethyl)-N-methyl-2-(4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)acetamide
CID 30833565
N-(2-cyanoethyl)-N-methyl-2-(4-oxo-1-pyridinyl)acetamide
CID 62880165
N-(2-cyanoethyl)-2-(4,5-dimethyl-3,6-dioxo-1H-pyridazin-2-yl)-N-methylacetamide
CID 63271393
6-methyl-3-[2-(2-methylphenyl)-2-oxoethyl]pyrimidin-4-one
CID 62024868
(E)-3-methyl-4-(4-methyl-6-oxopyrimidin-1-yl)but-2-enoic acid
CID 63774126
N-(2-cyanoethyl)-2-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-methylacetamide
CID 61406326
1-[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl]-6-methyl-2-oxopyridine-3-carboxylic acid
CID 82099942

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-N-methyl-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide?
The IUPAC name of N-(2-cyanoethyl)-N-methyl-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide (CID 61225137) is N-(2-cyanoethyl)-N-methyl-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide.
What is the SMILES notation for N-(2-cyanoethyl)-N-methyl-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide?
The canonical SMILES for N-(2-cyanoethyl)-N-methyl-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide is Cc1cc(=O)n(CC(=O)N(C)CCC#N)cn1.
What is the InChIKey of N-(2-cyanoethyl)-N-methyl-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide?
The InChIKey is NEMZEGDWNVLQDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2/c1-9-6-10(16)15(8-13-9)7-11(17)14(2)5-3-4-12/h6,8H,3,5,7H2,1-2H3.
What are the key properties of N-(2-cyanoethyl)-N-methyl-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide?
N-(2-cyanoethyl)-N-methyl-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide has a molecular weight of 234.26 g/mol, XLogP of -0.08, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-N-methyl-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide is sourced from PubChem (CID 61225137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).