2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidin-1-yl-dimethyl-(2-methylcyclopenta-2,4-dien-1-yl)silane

C15H25N3Si — CID 23524153

IUPAC2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidin-1-yl-dimethyl-(2-methylcyclopenta-2,4-dien-1-yl)silane
SMILESCC1=CC=CC1[Si](C)(C)N1CCCN2CCCN=C21
InChIInChI=1S/C15H25N3Si/c1-13-7-4-8-14(13)19(2,3)18-12-6-11-17-10-5-9-16-15(17)18/h4,7-8,14H,5-6,9-12H2,1-3H3
InChIKeyDDPPSFQPLXJBEG-UHFFFAOYSA-N
MW275.47 g/mol
LogP2.85
Rot. Bonds2

About 2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidin-1-yl-dimethyl-(2-methylcyclopenta-2,4-dien-1-yl)silane

2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidin-1-yl-dimethyl-(2-methylcyclopenta-2,4-dien-1-yl)silane (PubChem CID 23524153) has the molecular formula C15H25N3Si and a molecular weight of 275.47 g/mol. Its IUPAC name is 2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidin-1-yl-dimethyl-(2-methylcyclopenta-2,4-dien-1-yl)silane.

Molecular Properties

Compound Name2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidin-1-yl-dimethyl-(2-methylcyclopenta-2,4-dien-1-yl)silane
PubChem CID23524153
Molecular FormulaC15H25N3Si
Molecular Weight275.47 g/mol
Exact Mass275.18
IUPAC Name2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidin-1-yl-dimethyl-(2-methylcyclopenta-2,4-dien-1-yl)silane
SMILESCC1=CC=CC1[Si](C)(C)N1CCCN2CCCN=C21
InChIInChI=1S/C15H25N3Si/c1-13-7-4-8-14(13)19(2,3)18-12-6-11-17-10-5-9-16-15(17)18/h4,7-8,14H,5-6,9-12H2,1-3H3
InChIKeyDDPPSFQPLXJBEG-UHFFFAOYSA-N
XLogP2.85
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.47
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidin-1-yl-dimethyl-(2-methylcyclopenta-2,4-dien-1-yl)silane?
The IUPAC name of 2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidin-1-yl-dimethyl-(2-methylcyclopenta-2,4-dien-1-yl)silane (CID 23524153) is 2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidin-1-yl-dimethyl-(2-methylcyclopenta-2,4-dien-1-yl)silane.
What is the SMILES notation for 2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidin-1-yl-dimethyl-(2-methylcyclopenta-2,4-dien-1-yl)silane?
The canonical SMILES for 2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidin-1-yl-dimethyl-(2-methylcyclopenta-2,4-dien-1-yl)silane is CC1=CC=CC1[Si](C)(C)N1CCCN2CCCN=C21.
What is the InChIKey of 2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidin-1-yl-dimethyl-(2-methylcyclopenta-2,4-dien-1-yl)silane?
The InChIKey is DDPPSFQPLXJBEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3Si/c1-13-7-4-8-14(13)19(2,3)18-12-6-11-17-10-5-9-16-15(17)18/h4,7-8,14H,5-6,9-12H2,1-3H3.
What are the key properties of 2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidin-1-yl-dimethyl-(2-methylcyclopenta-2,4-dien-1-yl)silane?
2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidin-1-yl-dimethyl-(2-methylcyclopenta-2,4-dien-1-yl)silane has a molecular weight of 275.47 g/mol, XLogP of 2.85, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidin-1-yl-dimethyl-(2-methylcyclopenta-2,4-dien-1-yl)silane is sourced from PubChem (CID 23524153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).