2-ethyl-4-methyl-5-[2-[2-(2-methyltetrazol-5-yl)morpholin-4-yl]-2-oxoethyl]-1H-pyrimidin-6-one

C15H21N7O3 — CID 162631231

IUPAC2-ethyl-4-methyl-5-[2-[2-(2-methyltetrazol-5-yl)morpholin-4-yl]-2-oxoethyl]-1H-pyrimidin-6-one
SMILESCCc1nc(C)c(CC(=O)N2CCOC(c3nnn(C)n3)C2)c(=O)[nH]1
InChIInChI=1S/C15H21N7O3/c1-4-12-16-9(2)10(15(24)17-12)7-13(23)22-5-6-25-11(8-22)14-18-20-21(3)19-14/h11H,4-8H2,1-3H3,(H,16,17,24)
InChIKeyXDPGLWBHWHCNRA-UHFFFAOYSA-N
MW347.38 g/mol
LogP-0.69
Rot. Bonds4

About 2-ethyl-4-methyl-5-[2-[2-(2-methyltetrazol-5-yl)morpholin-4-yl]-2-oxoethyl]-1H-pyrimidin-6-one

2-ethyl-4-methyl-5-[2-[2-(2-methyltetrazol-5-yl)morpholin-4-yl]-2-oxoethyl]-1H-pyrimidin-6-one (PubChem CID 162631231) has the molecular formula C15H21N7O3 and a molecular weight of 347.38 g/mol. Its IUPAC name is 2-ethyl-4-methyl-5-[2-[2-(2-methyltetrazol-5-yl)morpholin-4-yl]-2-oxoethyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-ethyl-4-methyl-5-[2-[2-(2-methyltetrazol-5-yl)morpholin-4-yl]-2-oxoethyl]-1H-pyrimidin-6-one
PubChem CID162631231
Molecular FormulaC15H21N7O3
Molecular Weight347.38 g/mol
Exact Mass347.17
IUPAC Name2-ethyl-4-methyl-5-[2-[2-(2-methyltetrazol-5-yl)morpholin-4-yl]-2-oxoethyl]-1H-pyrimidin-6-one
SMILESCCc1nc(C)c(CC(=O)N2CCOC(c3nnn(C)n3)C2)c(=O)[nH]1
InChIInChI=1S/C15H21N7O3/c1-4-12-16-9(2)10(15(24)17-12)7-13(23)22-5-6-25-11(8-22)14-18-20-21(3)19-14/h11H,4-8H2,1-3H3,(H,16,17,24)
InChIKeyXDPGLWBHWHCNRA-UHFFFAOYSA-N
XLogP-0.69
TPSA118.89 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 5-0.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

3-ethoxy-1-[2-(2-methyltetrazol-5-yl)morpholin-4-yl]propan-1-one
CID 157020129
2-ethyl-5-[2-[(4S)-4-hydroxyazepan-1-yl]-2-oxoethyl]-4-methyl-1H-pyrimidin-6-one
CID 137092367
5-[2-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-2-oxoethyl]-2,4-dimethyl-1H-pyrimidin-6-one
CID 135930631
2-(5-chloro-3-methyl-1,2-oxazol-4-yl)-1-[(2S)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]ethanone
CID 96996858
5-[2-[(3R)-3-(2-chlorophenyl)pyrrolidin-1-yl]-2-oxoethyl]-2-ethyl-4-methyl-1H-pyrimidin-6-one
CID 136835264
(1S,5R)-7-[2-(2-ethyl-4-methyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one
CID 163306087
acetic acid;(3S,6R)-6-amino-1-[2-(2-ethyl-4-methyl-6-oxo-1H-pyrimidin-5-yl)acetyl]azepane-3-carboxylic acid
CID 171707324
(1-methylimidazol-2-yl)-[2-(2-methyltetrazol-5-yl)morpholin-4-yl]methanone
CID 157014614
2,4-dimethyl-5-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]-1H-pyrimidin-6-one
CID 135933971
(1,3-dimethylpyrazol-4-yl)-[(2S)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methanone
CID 96996940
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2R)-2-(4-methylpyrimidin-2-yl)morpholin-4-yl]ethanone
CID 125000690
N-(1,3-benzodioxol-5-yl)-2-(2-methyltetrazol-5-yl)morpholine-4-carboxamide
CID 162637516

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-methyl-5-[2-[2-(2-methyltetrazol-5-yl)morpholin-4-yl]-2-oxoethyl]-1H-pyrimidin-6-one?
The IUPAC name of 2-ethyl-4-methyl-5-[2-[2-(2-methyltetrazol-5-yl)morpholin-4-yl]-2-oxoethyl]-1H-pyrimidin-6-one (CID 162631231) is 2-ethyl-4-methyl-5-[2-[2-(2-methyltetrazol-5-yl)morpholin-4-yl]-2-oxoethyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-ethyl-4-methyl-5-[2-[2-(2-methyltetrazol-5-yl)morpholin-4-yl]-2-oxoethyl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-ethyl-4-methyl-5-[2-[2-(2-methyltetrazol-5-yl)morpholin-4-yl]-2-oxoethyl]-1H-pyrimidin-6-one is CCc1nc(C)c(CC(=O)N2CCOC(c3nnn(C)n3)C2)c(=O)[nH]1.
What is the InChIKey of 2-ethyl-4-methyl-5-[2-[2-(2-methyltetrazol-5-yl)morpholin-4-yl]-2-oxoethyl]-1H-pyrimidin-6-one?
The InChIKey is XDPGLWBHWHCNRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N7O3/c1-4-12-16-9(2)10(15(24)17-12)7-13(23)22-5-6-25-11(8-22)14-18-20-21(3)19-14/h11H,4-8H2,1-3H3,(H,16,17,24).
What are the key properties of 2-ethyl-4-methyl-5-[2-[2-(2-methyltetrazol-5-yl)morpholin-4-yl]-2-oxoethyl]-1H-pyrimidin-6-one?
2-ethyl-4-methyl-5-[2-[2-(2-methyltetrazol-5-yl)morpholin-4-yl]-2-oxoethyl]-1H-pyrimidin-6-one has a molecular weight of 347.38 g/mol, XLogP of -0.69, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-methyl-5-[2-[2-(2-methyltetrazol-5-yl)morpholin-4-yl]-2-oxoethyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 162631231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).