4a,5,7,8-tetrahydro-1H-pyrimido[4,5-a]indolizine-2,4-dione

C10H11N3O2 — CID 141415558

IUPAC4a,5,7,8-tetrahydro-1H-pyrimido[4,5-a]indolizine-2,4-dione
SMILESO=C1NC(=O)C2CN3CCC=CC3=C2N1
InChIInChI=1S/C10H11N3O2/c14-9-6-5-13-4-2-1-3-7(13)8(6)11-10(15)12-9/h1,3,6H,2,4-5H2,(H2,11,12,14,15)
InChIKeyMITWGSWRYZRFFO-UHFFFAOYSA-N
MW205.22 g/mol
LogP-0.07
Rot. Bonds

About 4a,5,7,8-tetrahydro-1H-pyrimido[4,5-a]indolizine-2,4-dione

4a,5,7,8-tetrahydro-1H-pyrimido[4,5-a]indolizine-2,4-dione (PubChem CID 141415558) has the molecular formula C10H11N3O2 and a molecular weight of 205.22 g/mol. Its IUPAC name is 4a,5,7,8-tetrahydro-1H-pyrimido[4,5-a]indolizine-2,4-dione.

Molecular Properties

Compound Name4a,5,7,8-tetrahydro-1H-pyrimido[4,5-a]indolizine-2,4-dione
PubChem CID141415558
Molecular FormulaC10H11N3O2
Molecular Weight205.22 g/mol
Exact Mass205.09
IUPAC Name4a,5,7,8-tetrahydro-1H-pyrimido[4,5-a]indolizine-2,4-dione
SMILESO=C1NC(=O)C2CN3CCC=CC3=C2N1
InChIInChI=1S/C10H11N3O2/c14-9-6-5-13-4-2-1-3-7(13)8(6)11-10(15)12-9/h1,3,6H,2,4-5H2,(H2,11,12,14,15)
InChIKeyMITWGSWRYZRFFO-UHFFFAOYSA-N
XLogP-0.07
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4a,5,6,7-tetrahydro-1H-pyrido[4,3-d]pyrimidine-2,4-dione
CID 69937215
4a,5-dihydro-1H-pyrimido[4,5-a]indolizine-2,4-dione
CID 141415549
1,4a,5,7-Tetrahydropyrimido[4,5-a]pyrrolizine-2,4-dione
CID 141415579
3,4,5a,6-tetrahydro-1H-pyrimido[1,2-a]indol-2-one
CID 145734094
3,5,9,10-Tetrazatricyclo[7.4.0.02,7]trideca-1,12-diene-4,6-dione
CID 154238866
3,5,9-Triazatricyclo[7.5.0.02,7]tetradeca-1,13-diene-4,6-dione
CID 154465076
1-[(1E,3Z)-1,4-diamino-5-methylhexa-1,3-dien-2-yl]-1,3-diazinane-2,4-dione;ethane
CID 166112620
1-[(4E)-2-methylhepta-2,4-dien-4-yl]-1,3-diazinane-2,4-dione
CID 172265396
1-[(3E)-hexa-1,3-dien-3-yl]-1,3-diazinane-2,4-dione
CID 172604880
ethane;1-[(3Z)-3-ethylidenecyclopenta-1,4-dien-1-yl]-1,3-diazinane-2,4-dione
CID 176935128
ethane;1-[(3E)-hexa-1,3-dien-3-yl]-1,3-diazinane-2,4-dione
CID 177003125
2-methylpropane;1-[(3E,5Z)-octa-1,3,5-trien-4-yl]-1,3-diazinane-2,4-dione
CID 177039206

Frequently Asked Questions

What is the IUPAC name of 4a,5,7,8-tetrahydro-1H-pyrimido[4,5-a]indolizine-2,4-dione?
The IUPAC name of 4a,5,7,8-tetrahydro-1H-pyrimido[4,5-a]indolizine-2,4-dione (CID 141415558) is 4a,5,7,8-tetrahydro-1H-pyrimido[4,5-a]indolizine-2,4-dione.
What is the SMILES notation for 4a,5,7,8-tetrahydro-1H-pyrimido[4,5-a]indolizine-2,4-dione?
The canonical SMILES for 4a,5,7,8-tetrahydro-1H-pyrimido[4,5-a]indolizine-2,4-dione is O=C1NC(=O)C2CN3CCC=CC3=C2N1.
What is the InChIKey of 4a,5,7,8-tetrahydro-1H-pyrimido[4,5-a]indolizine-2,4-dione?
The InChIKey is MITWGSWRYZRFFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2/c14-9-6-5-13-4-2-1-3-7(13)8(6)11-10(15)12-9/h1,3,6H,2,4-5H2,(H2,11,12,14,15).
What are the key properties of 4a,5,7,8-tetrahydro-1H-pyrimido[4,5-a]indolizine-2,4-dione?
4a,5,7,8-tetrahydro-1H-pyrimido[4,5-a]indolizine-2,4-dione has a molecular weight of 205.22 g/mol, XLogP of -0.07, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4a,5,7,8-tetrahydro-1H-pyrimido[4,5-a]indolizine-2,4-dione is sourced from PubChem (CID 141415558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).