1,2-bis(2,6-dihydro-1H-pyrimidin-3-yl)ethane-1,2-dione

C10H14N4O2 — CID 141095674

IUPAC1,2-bis(2,6-dihydro-1H-pyrimidin-3-yl)ethane-1,2-dione
SMILESO=C(C(=O)N1C=CCNC1)N1C=CCNC1
InChIInChI=1S/C10H14N4O2/c15-9(13-5-1-3-11-7-13)10(16)14-6-2-4-12-8-14/h1-2,5-6,11-12H,3-4,7-8H2
InChIKeySYXLZYUDFHULOK-UHFFFAOYSA-N
MW222.25 g/mol
LogP-1.21
Rot. Bonds

About 1,2-bis(2,6-dihydro-1H-pyrimidin-3-yl)ethane-1,2-dione

1,2-bis(2,6-dihydro-1H-pyrimidin-3-yl)ethane-1,2-dione (PubChem CID 141095674) has the molecular formula C10H14N4O2 and a molecular weight of 222.25 g/mol. Its IUPAC name is 1,2-bis(2,6-dihydro-1H-pyrimidin-3-yl)ethane-1,2-dione.

Molecular Properties

Compound Name1,2-bis(2,6-dihydro-1H-pyrimidin-3-yl)ethane-1,2-dione
PubChem CID141095674
Molecular FormulaC10H14N4O2
Molecular Weight222.25 g/mol
Exact Mass222.11
IUPAC Name1,2-bis(2,6-dihydro-1H-pyrimidin-3-yl)ethane-1,2-dione
SMILESO=C(C(=O)N1C=CCNC1)N1C=CCNC1
InChIInChI=1S/C10H14N4O2/c15-9(13-5-1-3-11-7-13)10(16)14-6-2-4-12-8-14/h1-2,5-6,11-12H,3-4,7-8H2
InChIKeySYXLZYUDFHULOK-UHFFFAOYSA-N
XLogP-1.21
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 5-1.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

1-Carbamoylmethyl-3-carbamoyl-1,4-dihydropyrimidine
CID 68917539
1,2-bis-(2'-oxodihydro-N-pyrimidinyl)ethane
CID 129810263
2-[[2-(2,4-Dioxopyrimidin-1-yl)acetyl]amino]acetamide
CID 260486
1-[2-(2,4-Dioxopyrimidin-1-yl)-2-oxoacetyl]pyrimidine-2,4-dione
CID 13116707
1-(2-Oxo-2-piperazin-1-ylethyl)pyrimidine-2,4-dione
CID 28945242
2-(diethylamino)-N-[(3-prop-2-enyl-2H-imidazol-1-yl)methyl]acetamide
CID 57084211
1,2,3,4-Tetrahydropyrimidine-2-carboxamide
CID 68757755
2-[2-(2,4-dioxo-1H-pyrimidin-3-yl)ethylamino]acetamide
CID 141014991
3-methyl-2,6-dihydro-1H-pyrimidine-2-carboxamide
CID 141358739
2-[[1,3-dimethyl-2-methylidene-4-oxo-6-[[(Z)-prop-1-enyl]amino]pyrimidin-5-yl]amino]acetamide
CID 173758923
2-Amino-2-(2,4-dioxopyrimidin-1-yl)acetamide
CID 174382120
bis(2,6-dihydro-1H-pyrimidin-3-yl)methanone
CID 174793770

Frequently Asked Questions

What is the IUPAC name of 1,2-bis(2,6-dihydro-1H-pyrimidin-3-yl)ethane-1,2-dione?
The IUPAC name of 1,2-bis(2,6-dihydro-1H-pyrimidin-3-yl)ethane-1,2-dione (CID 141095674) is 1,2-bis(2,6-dihydro-1H-pyrimidin-3-yl)ethane-1,2-dione.
What is the SMILES notation for 1,2-bis(2,6-dihydro-1H-pyrimidin-3-yl)ethane-1,2-dione?
The canonical SMILES for 1,2-bis(2,6-dihydro-1H-pyrimidin-3-yl)ethane-1,2-dione is O=C(C(=O)N1C=CCNC1)N1C=CCNC1.
What is the InChIKey of 1,2-bis(2,6-dihydro-1H-pyrimidin-3-yl)ethane-1,2-dione?
The InChIKey is SYXLZYUDFHULOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2/c15-9(13-5-1-3-11-7-13)10(16)14-6-2-4-12-8-14/h1-2,5-6,11-12H,3-4,7-8H2.
What are the key properties of 1,2-bis(2,6-dihydro-1H-pyrimidin-3-yl)ethane-1,2-dione?
1,2-bis(2,6-dihydro-1H-pyrimidin-3-yl)ethane-1,2-dione has a molecular weight of 222.25 g/mol, XLogP of -1.21, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(2,6-dihydro-1H-pyrimidin-3-yl)ethane-1,2-dione is sourced from PubChem (CID 141095674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).