2-(2-morpholin-4-yl-2-oxoethyl)-5,6,7,8-tetrahydro-3H-pyrimido[5,4-e][1,4]diazepine-4,9-dione

C13H17N5O4 — CID 135697216

IUPAC2-(2-morpholin-4-yl-2-oxoethyl)-5,6,7,8-tetrahydro-3H-pyrimido[5,4-e][1,4]diazepine-4,9-dione
SMILESO=C1NCCNc2c1nc(CC(=O)N1CCOCC1)[nH]c2=O
InChIInChI=1S/C13H17N5O4/c19-9(18-3-5-22-6-4-18)7-8-16-11-10(13(21)17-8)14-1-2-15-12(11)20/h14H,1-7H2,(H,15,20)(H,16,17,21)
InChIKeyYKCQANLPXBDHIY-UHFFFAOYSA-N
MW307.31 g/mol
LogP-1.67
Rot. Bonds2

About 2-(2-morpholin-4-yl-2-oxoethyl)-5,6,7,8-tetrahydro-3H-pyrimido[5,4-e][1,4]diazepine-4,9-dione

2-(2-morpholin-4-yl-2-oxoethyl)-5,6,7,8-tetrahydro-3H-pyrimido[5,4-e][1,4]diazepine-4,9-dione (PubChem CID 135697216) has the molecular formula C13H17N5O4 and a molecular weight of 307.31 g/mol. Its IUPAC name is 2-(2-morpholin-4-yl-2-oxoethyl)-5,6,7,8-tetrahydro-3H-pyrimido[5,4-e][1,4]diazepine-4,9-dione.

Molecular Properties

Compound Name2-(2-morpholin-4-yl-2-oxoethyl)-5,6,7,8-tetrahydro-3H-pyrimido[5,4-e][1,4]diazepine-4,9-dione
PubChem CID135697216
Molecular FormulaC13H17N5O4
Molecular Weight307.31 g/mol
Exact Mass307.13
IUPAC Name2-(2-morpholin-4-yl-2-oxoethyl)-5,6,7,8-tetrahydro-3H-pyrimido[5,4-e][1,4]diazepine-4,9-dione
SMILESO=C1NCCNc2c1nc(CC(=O)N1CCOCC1)[nH]c2=O
InChIInChI=1S/C13H17N5O4/c19-9(18-3-5-22-6-4-18)7-8-16-11-10(13(21)17-8)14-1-2-15-12(11)20/h14H,1-7H2,(H,15,20)(H,16,17,21)
InChIKeyYKCQANLPXBDHIY-UHFFFAOYSA-N
XLogP-1.67
TPSA116.42 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.31
LogP ≤ 5-1.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-(2-morpholin-4-yl-2-oxoethyl)-5,6,7,8-tetrahydro-3H-pyrimido[5,4-e][1,4]diazepine-4,9-dione with MolForge

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Related Compounds

2-(2-oxo-2-piperidin-1-ylethyl)-5,6,7,8-tetrahydro-3H-pyrimido[5,4-e][1,4]diazepine-4,9-dione
CID 135697215
N-[2-(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)ethyl]-2-morpholin-4-ylacetamide
CID 136664947
2,4-dimethyl-N-(2-morpholin-4-ylethyl)-6-oxo-1H-pyrimidine-5-carboxamide
CID 136911221
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[2-(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)ethyl]acetamide
CID 136967960
5-amino-4-[(3-morpholin-4-yl-3-oxopropyl)amino]-1H-pyrimidin-6-one
CID 136976891
2-tert-butyl-4-methyl-N-(2-morpholin-4-ylethyl)-6-oxo-1H-pyrimidine-5-carboxamide
CID 137016773

Frequently Asked Questions

What is the IUPAC name of 2-(2-morpholin-4-yl-2-oxoethyl)-5,6,7,8-tetrahydro-3H-pyrimido[5,4-e][1,4]diazepine-4,9-dione?
The IUPAC name of 2-(2-morpholin-4-yl-2-oxoethyl)-5,6,7,8-tetrahydro-3H-pyrimido[5,4-e][1,4]diazepine-4,9-dione (CID 135697216) is 2-(2-morpholin-4-yl-2-oxoethyl)-5,6,7,8-tetrahydro-3H-pyrimido[5,4-e][1,4]diazepine-4,9-dione.
What is the SMILES notation for 2-(2-morpholin-4-yl-2-oxoethyl)-5,6,7,8-tetrahydro-3H-pyrimido[5,4-e][1,4]diazepine-4,9-dione?
The canonical SMILES for 2-(2-morpholin-4-yl-2-oxoethyl)-5,6,7,8-tetrahydro-3H-pyrimido[5,4-e][1,4]diazepine-4,9-dione is O=C1NCCNc2c1nc(CC(=O)N1CCOCC1)[nH]c2=O.
What is the InChIKey of 2-(2-morpholin-4-yl-2-oxoethyl)-5,6,7,8-tetrahydro-3H-pyrimido[5,4-e][1,4]diazepine-4,9-dione?
The InChIKey is YKCQANLPXBDHIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O4/c19-9(18-3-5-22-6-4-18)7-8-16-11-10(13(21)17-8)14-1-2-15-12(11)20/h14H,1-7H2,(H,15,20)(H,16,17,21).
What are the key properties of 2-(2-morpholin-4-yl-2-oxoethyl)-5,6,7,8-tetrahydro-3H-pyrimido[5,4-e][1,4]diazepine-4,9-dione?
2-(2-morpholin-4-yl-2-oxoethyl)-5,6,7,8-tetrahydro-3H-pyrimido[5,4-e][1,4]diazepine-4,9-dione has a molecular weight of 307.31 g/mol, XLogP of -1.67, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-morpholin-4-yl-2-oxoethyl)-5,6,7,8-tetrahydro-3H-pyrimido[5,4-e][1,4]diazepine-4,9-dione is sourced from PubChem (CID 135697216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).