1-pyrimidin-5-yl-1,4-diazepane-2,5-dione

C9H10N4O2 — CID 107590246

IUPAC1-pyrimidin-5-yl-1,4-diazepane-2,5-dione
SMILESO=C1CCN(c2cncnc2)C(=O)CN1
InChIInChI=1S/C9H10N4O2/c14-8-1-2-13(9(15)5-12-8)7-3-10-6-11-4-7/h3-4,6H,1-2,5H2,(H,12,14)
InChIKeyFRIWLJAKRFAXQB-UHFFFAOYSA-N
MW206.21 g/mol
LogP-0.67
Rot. Bonds1

About 1-pyrimidin-5-yl-1,4-diazepane-2,5-dione

1-pyrimidin-5-yl-1,4-diazepane-2,5-dione (PubChem CID 107590246) has the molecular formula C9H10N4O2 and a molecular weight of 206.21 g/mol. Its IUPAC name is 1-pyrimidin-5-yl-1,4-diazepane-2,5-dione.

Molecular Properties

Compound Name1-pyrimidin-5-yl-1,4-diazepane-2,5-dione
PubChem CID107590246
Molecular FormulaC9H10N4O2
Molecular Weight206.21 g/mol
Exact Mass206.08
IUPAC Name1-pyrimidin-5-yl-1,4-diazepane-2,5-dione
SMILESO=C1CCN(c2cncnc2)C(=O)CN1
InChIInChI=1S/C9H10N4O2/c14-8-1-2-13(9(15)5-12-8)7-3-10-6-11-4-7/h3-4,6H,1-2,5H2,(H,12,14)
InChIKeyFRIWLJAKRFAXQB-UHFFFAOYSA-N
XLogP-0.67
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.21
LogP ≤ 5-0.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methoxyphenyl)-1,4-diazepane-2,5-dione
CID 64955856
1-pyrimidin-5-ylpyrrolidine-2,3-dione
CID 107588849
1-(3-propan-2-ylphenyl)-1,4-diazepane-2,5-dione
CID 64959894
1-(3-ethylphenyl)-1,4-diazepane-2,5-dione
CID 64959098
1-[4-methyl-3-(trifluoromethyl)phenyl]-1,4-diazepane-2,5-dione
CID 64966908
3-phenyl-1-pyrimidin-5-yl-1,4-diazepane-2,5-dione
CID 107590309
1-(2-methyl-3-pyridinyl)-1,4-diazepane-2,5-dione
CID 79043608
1-(2-bromophenyl)-1,4-diazepane-2,5-dione
CID 64962319
1-(2,3-dimethylphenyl)-1,4-diazepane-2,5-dione
CID 64958545
1-(2,3,4-trifluorophenyl)-1,4-diazepane-2,5-dione
CID 64956628
1-naphthalen-1-yl-1,4-diazepane-2,5-dione
CID 64956427
1-quinolin-5-yl-1,4-diazepane-2,5-dione
CID 64956527

Frequently Asked Questions

What is the IUPAC name of 1-pyrimidin-5-yl-1,4-diazepane-2,5-dione?
The IUPAC name of 1-pyrimidin-5-yl-1,4-diazepane-2,5-dione (CID 107590246) is 1-pyrimidin-5-yl-1,4-diazepane-2,5-dione.
What is the SMILES notation for 1-pyrimidin-5-yl-1,4-diazepane-2,5-dione?
The canonical SMILES for 1-pyrimidin-5-yl-1,4-diazepane-2,5-dione is O=C1CCN(c2cncnc2)C(=O)CN1.
What is the InChIKey of 1-pyrimidin-5-yl-1,4-diazepane-2,5-dione?
The InChIKey is FRIWLJAKRFAXQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O2/c14-8-1-2-13(9(15)5-12-8)7-3-10-6-11-4-7/h3-4,6H,1-2,5H2,(H,12,14).
What are the key properties of 1-pyrimidin-5-yl-1,4-diazepane-2,5-dione?
1-pyrimidin-5-yl-1,4-diazepane-2,5-dione has a molecular weight of 206.21 g/mol, XLogP of -0.67, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrimidin-5-yl-1,4-diazepane-2,5-dione is sourced from PubChem (CID 107590246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).