2-(4-ethyl-2-morpholin-4-yl-6-oxopyrimidin-1-yl)acetonitrile

C12H16N4O2 — CID 53201013

IUPAC2-(4-ethyl-2-morpholin-4-yl-6-oxopyrimidin-1-yl)acetonitrile
SMILESCCc1cc(=O)n(CC#N)c(N2CCOCC2)n1
InChIInChI=1S/C12H16N4O2/c1-2-10-9-11(17)16(4-3-13)12(14-10)15-5-7-18-8-6-15/h9H,2,4-8H2,1H3
InChIKeyDNJHESMZYCTHOM-UHFFFAOYSA-N
MW248.29 g/mol
LogP0.17
Rot. Bonds3

About 2-(4-ethyl-2-morpholin-4-yl-6-oxopyrimidin-1-yl)acetonitrile

2-(4-ethyl-2-morpholin-4-yl-6-oxopyrimidin-1-yl)acetonitrile (PubChem CID 53201013) has the molecular formula C12H16N4O2 and a molecular weight of 248.29 g/mol. Its IUPAC name is 2-(4-ethyl-2-morpholin-4-yl-6-oxopyrimidin-1-yl)acetonitrile.

Molecular Properties

Compound Name2-(4-ethyl-2-morpholin-4-yl-6-oxopyrimidin-1-yl)acetonitrile
PubChem CID53201013
Molecular FormulaC12H16N4O2
Molecular Weight248.29 g/mol
Exact Mass248.13
IUPAC Name2-(4-ethyl-2-morpholin-4-yl-6-oxopyrimidin-1-yl)acetonitrile
SMILESCCc1cc(=O)n(CC#N)c(N2CCOCC2)n1
InChIInChI=1S/C12H16N4O2/c1-2-10-9-11(17)16(4-3-13)12(14-10)15-5-7-18-8-6-15/h9H,2,4-8H2,1H3
InChIKeyDNJHESMZYCTHOM-UHFFFAOYSA-N
XLogP0.17
TPSA71.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 50.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-butyl-6-ethyl-2-morpholin-4-ylpyrimidin-4-one
CID 53201010
2-(4-ethyl-2-morpholin-4-yl-6-oxopyrimidin-1-yl)-N-(5-fluoro-2-methylphenyl)acetamide
CID 53201857
ethyl 4-[[2-(4-ethyl-2-morpholin-4-yl-6-oxopyrimidin-1-yl)acetyl]amino]benzoate
CID 91903965
2-(4-methyl-2-morpholin-4-yl-6-oxopyrimidin-1-yl)acetic acid
CID 10923044
2-(4-ethyl-1-methyl-6-oxopyrimidin-2-yl)sulfanyl-N-(2-morpholin-4-ylethyl)acetamide
CID 42739010
8-(1-aminoethyl)-6-chloro-3-ethyl-2-morpholin-4-ylquinazolin-4-one
CID 170753730
2-ethyl-6-morpholin-4-ylpyrimidine-4-carbonitrile
CID 116862851
N-(2-chloro-6-methylphenyl)-2-[4-(methoxymethyl)-2-morpholin-4-yl-6-oxopyrimidin-1-yl]acetamide
CID 50926672
N-[(3-bromophenyl)methyl]-2-[4-(methoxymethyl)-2-morpholin-4-yl-6-oxopyrimidin-1-yl]acetamide
CID 51369876
6-(methoxymethyl)-3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-2-morpholin-4-ylpyrimidin-4-one
CID 51363351
4-ethyl-2-[(2-morpholin-4-yl-4,5-dihydro-1,3-thiazol-5-yl)methylsulfanyl]-1H-pyrimidin-6-one
CID 146091535
2-[2-(1-morpholin-4-ylpropyl)benzimidazol-1-yl]acetonitrile
CID 82311249

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-2-morpholin-4-yl-6-oxopyrimidin-1-yl)acetonitrile?
The IUPAC name of 2-(4-ethyl-2-morpholin-4-yl-6-oxopyrimidin-1-yl)acetonitrile (CID 53201013) is 2-(4-ethyl-2-morpholin-4-yl-6-oxopyrimidin-1-yl)acetonitrile.
What is the SMILES notation for 2-(4-ethyl-2-morpholin-4-yl-6-oxopyrimidin-1-yl)acetonitrile?
The canonical SMILES for 2-(4-ethyl-2-morpholin-4-yl-6-oxopyrimidin-1-yl)acetonitrile is CCc1cc(=O)n(CC#N)c(N2CCOCC2)n1.
What is the InChIKey of 2-(4-ethyl-2-morpholin-4-yl-6-oxopyrimidin-1-yl)acetonitrile?
The InChIKey is DNJHESMZYCTHOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2/c1-2-10-9-11(17)16(4-3-13)12(14-10)15-5-7-18-8-6-15/h9H,2,4-8H2,1H3.
What are the key properties of 2-(4-ethyl-2-morpholin-4-yl-6-oxopyrimidin-1-yl)acetonitrile?
2-(4-ethyl-2-morpholin-4-yl-6-oxopyrimidin-1-yl)acetonitrile has a molecular weight of 248.29 g/mol, XLogP of 0.17, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-2-morpholin-4-yl-6-oxopyrimidin-1-yl)acetonitrile is sourced from PubChem (CID 53201013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).