N,N-diethyl-2-(2-methyl-4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)acetamide

C14H21N3O2 — CID 7748098

IUPACN,N-diethyl-2-(2-methyl-4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)acetamide
SMILESCCN(CC)C(=O)Cn1c(C)nc2c(c1=O)CCC2
InChIInChI=1S/C14H21N3O2/c1-4-16(5-2)13(18)9-17-10(3)15-12-8-6-7-11(12)14(17)19/h4-9H2,1-3H3
InChIKeyMHSNHFMMHBLREC-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.91
Rot. Bonds4

About N,N-diethyl-2-(2-methyl-4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)acetamide

N,N-diethyl-2-(2-methyl-4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)acetamide (PubChem CID 7748098) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is N,N-diethyl-2-(2-methyl-4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-(2-methyl-4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)acetamide
PubChem CID7748098
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC NameN,N-diethyl-2-(2-methyl-4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)acetamide
SMILESCCN(CC)C(=O)Cn1c(C)nc2c(c1=O)CCC2
InChIInChI=1S/C14H21N3O2/c1-4-16(5-2)13(18)9-17-10(3)15-12-8-6-7-11(12)14(17)19/h4-9H2,1-3H3
InChIKeyMHSNHFMMHBLREC-UHFFFAOYSA-N
XLogP0.91
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3H-Pyrimidin-4-one, 2,3-pentamethyleno-5,6-trimethyleno
CID 523979
Pyrido-pyrimidinone analog (rings=565)
CID 523977
13-Methyl-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),8-dien-2-one
CID 12485604
N-methyl-2-(4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 136532114
1,8-Diaza-tricyclo[7.6.0.0*3,7*]pentadeca-3(7),8-dien-2-one
CID 23274244
8,13-Dimethyl-1-aza-8-azoniatricyclo[7.4.0.03,7]trideca-3(7),8-dien-2-one
CID 13258455
1,8-Diazatricyclo[7.5.0.03,7]tetradeca-3(7),8-dien-2-one;perchloric acid
CID 23321504
1,8-Diazatricyclo[7.5.0.03,7]tetradeca-3(7),8-dien-2-one;hydrochloride
CID 23321506
5-Butyl-2,3-diethyl-6-methylpyrimidin-4-one
CID 144396284
2-(2-methyl-4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)acetonitrile
CID 7747984
2-(2-methyl-4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)acetamide
CID 7748093
2-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one
CID 7748095

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(2-methyl-4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)acetamide?
The IUPAC name of N,N-diethyl-2-(2-methyl-4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)acetamide (CID 7748098) is N,N-diethyl-2-(2-methyl-4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)acetamide.
What is the SMILES notation for N,N-diethyl-2-(2-methyl-4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)acetamide?
The canonical SMILES for N,N-diethyl-2-(2-methyl-4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)acetamide is CCN(CC)C(=O)Cn1c(C)nc2c(c1=O)CCC2.
What is the InChIKey of N,N-diethyl-2-(2-methyl-4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)acetamide?
The InChIKey is MHSNHFMMHBLREC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-4-16(5-2)13(18)9-17-10(3)15-12-8-6-7-11(12)14(17)19/h4-9H2,1-3H3.
What are the key properties of N,N-diethyl-2-(2-methyl-4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)acetamide?
N,N-diethyl-2-(2-methyl-4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)acetamide has a molecular weight of 263.34 g/mol, XLogP of 0.91, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(2-methyl-4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)acetamide is sourced from PubChem (CID 7748098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).