2-(1,2,5,6-tetrahydropyrimidin-2-yl)-1,3-diazinan-4-one

C8H14N4O — CID 54090915

IUPAC2-(1,2,5,6-tetrahydropyrimidin-2-yl)-1,3-diazinan-4-one
SMILESO=C1CCNC(C2N=CCCN2)N1
InChIInChI=1S/C8H14N4O/c13-6-2-5-11-8(12-6)7-9-3-1-4-10-7/h3,7-8,10-11H,1-2,4-5H2,(H,12,13)
InChIKeyMTTZUVWKWGTTFY-UHFFFAOYSA-N
MW182.23 g/mol
LogP-1.19
Rot. Bonds1

About 2-(1,2,5,6-tetrahydropyrimidin-2-yl)-1,3-diazinan-4-one

2-(1,2,5,6-tetrahydropyrimidin-2-yl)-1,3-diazinan-4-one (PubChem CID 54090915) has the molecular formula C8H14N4O and a molecular weight of 182.23 g/mol. Its IUPAC name is 2-(1,2,5,6-tetrahydropyrimidin-2-yl)-1,3-diazinan-4-one.

Molecular Properties

Compound Name2-(1,2,5,6-tetrahydropyrimidin-2-yl)-1,3-diazinan-4-one
PubChem CID54090915
Molecular FormulaC8H14N4O
Molecular Weight182.23 g/mol
Exact Mass182.12
IUPAC Name2-(1,2,5,6-tetrahydropyrimidin-2-yl)-1,3-diazinan-4-one
SMILESO=C1CCNC(C2N=CCCN2)N1
InChIInChI=1S/C8H14N4O/c13-6-2-5-11-8(12-6)7-9-3-1-4-10-7/h3,7-8,10-11H,1-2,4-5H2,(H,12,13)
InChIKeyMTTZUVWKWGTTFY-UHFFFAOYSA-N
XLogP-1.19
TPSA65.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 5-1.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1,2,5,6-tetrahydropyrimidin-2-yl)-1,3-diazinan-4-one?
The IUPAC name of 2-(1,2,5,6-tetrahydropyrimidin-2-yl)-1,3-diazinan-4-one (CID 54090915) is 2-(1,2,5,6-tetrahydropyrimidin-2-yl)-1,3-diazinan-4-one.
What is the SMILES notation for 2-(1,2,5,6-tetrahydropyrimidin-2-yl)-1,3-diazinan-4-one?
The canonical SMILES for 2-(1,2,5,6-tetrahydropyrimidin-2-yl)-1,3-diazinan-4-one is O=C1CCNC(C2N=CCCN2)N1.
What is the InChIKey of 2-(1,2,5,6-tetrahydropyrimidin-2-yl)-1,3-diazinan-4-one?
The InChIKey is MTTZUVWKWGTTFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O/c13-6-2-5-11-8(12-6)7-9-3-1-4-10-7/h3,7-8,10-11H,1-2,4-5H2,(H,12,13).
What are the key properties of 2-(1,2,5,6-tetrahydropyrimidin-2-yl)-1,3-diazinan-4-one?
2-(1,2,5,6-tetrahydropyrimidin-2-yl)-1,3-diazinan-4-one has a molecular weight of 182.23 g/mol, XLogP of -1.19, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,5,6-tetrahydropyrimidin-2-yl)-1,3-diazinan-4-one is sourced from PubChem (CID 54090915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).