1-(2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidin-1-yl)propan-2-yloxy-dimethylgallane

C12H24GaN3O — CID 139239324

IUPAC1-(2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidin-1-yl)propan-2-yloxy-dimethylgallane
SMILESCC(CN1CCCN2CCCN=C21)O[Ga](C)C
InChIInChI=1S/C10H18N3O.2CH3.Ga/c1-9(14)8-13-7-3-6-12-5-2-4-11-10(12)13;;;/h9H,2-8H2,1H3;2*1H3;/q-1;;;+1
InChIKeyZHQFDQKEQKTVTL-UHFFFAOYSA-N
MW296.07 g/mol
LogP1.41
Rot. Bonds4

About 1-(2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidin-1-yl)propan-2-yloxy-dimethylgallane

1-(2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidin-1-yl)propan-2-yloxy-dimethylgallane (PubChem CID 139239324) has the molecular formula C12H24GaN3O and a molecular weight of 296.07 g/mol. Its IUPAC name is 1-(2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidin-1-yl)propan-2-yloxy-dimethylgallane.

Molecular Properties

Compound Name1-(2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidin-1-yl)propan-2-yloxy-dimethylgallane
PubChem CID139239324
Molecular FormulaC12H24GaN3O
Molecular Weight296.07 g/mol
Exact Mass295.12
IUPAC Name1-(2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidin-1-yl)propan-2-yloxy-dimethylgallane
SMILESCC(CN1CCCN2CCCN=C21)O[Ga](C)C
InChIInChI=1S/C10H18N3O.2CH3.Ga/c1-9(14)8-13-7-3-6-12-5-2-4-11-10(12)13;;;/h9H,2-8H2,1H3;2*1H3;/q-1;;;+1
InChIKeyZHQFDQKEQKTVTL-UHFFFAOYSA-N
XLogP1.41
TPSA28.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.07
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidin-1-yl)propan-2-yloxy-dimethylgallane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidin-1-yl)propan-2-yloxy-dimethylgallane?
The IUPAC name of 1-(2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidin-1-yl)propan-2-yloxy-dimethylgallane (CID 139239324) is 1-(2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidin-1-yl)propan-2-yloxy-dimethylgallane.
What is the SMILES notation for 1-(2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidin-1-yl)propan-2-yloxy-dimethylgallane?
The canonical SMILES for 1-(2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidin-1-yl)propan-2-yloxy-dimethylgallane is CC(CN1CCCN2CCCN=C21)O[Ga](C)C.
What is the InChIKey of 1-(2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidin-1-yl)propan-2-yloxy-dimethylgallane?
The InChIKey is ZHQFDQKEQKTVTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N3O.2CH3.Ga/c1-9(14)8-13-7-3-6-12-5-2-4-11-10(12)13;;;/h9H,2-8H2,1H3;2*1H3;/q-1;;;+1.
What are the key properties of 1-(2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidin-1-yl)propan-2-yloxy-dimethylgallane?
1-(2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidin-1-yl)propan-2-yloxy-dimethylgallane has a molecular weight of 296.07 g/mol, XLogP of 1.41, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidin-1-yl)propan-2-yloxy-dimethylgallane is sourced from PubChem (CID 139239324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).