[2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2,3,4,6,7,8,9-octahydropyrimido[1,2-a]pyrimidin-5-ium-8-yl]methanamine

C25H37N4OSi+ — CID 73101123

IUPAC[2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2,3,4,6,7,8,9-octahydropyrimido[1,2-a]pyrimidin-5-ium-8-yl]methanamine
SMILESCC(C)(C)[Si](OCC1CC[N+]2=C(NC(CN)CC2)N1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H36N4OSi/c1-25(2,3)31(22-10-6-4-7-11-22,23-12-8-5-9-13-23)30-19-21-15-17-29-16-14-20(18-26)27-24(29)28-21/h4-13,20-21H,14-19,26H2,1-3H3,(H,27,28)/p+1
InChIKeyRWQVKAJTOPHZMS-UHFFFAOYSA-O
MW437.68 g/mol
LogP1.61
Rot. Bonds6

About [2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2,3,4,6,7,8,9-octahydropyrimido[1,2-a]pyrimidin-5-ium-8-yl]methanamine

[2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2,3,4,6,7,8,9-octahydropyrimido[1,2-a]pyrimidin-5-ium-8-yl]methanamine (PubChem CID 73101123) has the molecular formula C25H37N4OSi+ and a molecular weight of 437.68 g/mol. Its IUPAC name is [2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2,3,4,6,7,8,9-octahydropyrimido[1,2-a]pyrimidin-5-ium-8-yl]methanamine.

Molecular Properties

Compound Name[2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2,3,4,6,7,8,9-octahydropyrimido[1,2-a]pyrimidin-5-ium-8-yl]methanamine
PubChem CID73101123
Molecular FormulaC25H37N4OSi+
Molecular Weight437.68 g/mol
Exact Mass437.27
IUPAC Name[2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2,3,4,6,7,8,9-octahydropyrimido[1,2-a]pyrimidin-5-ium-8-yl]methanamine
SMILESCC(C)(C)[Si](OCC1CC[N+]2=C(NC(CN)CC2)N1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H36N4OSi/c1-25(2,3)31(22-10-6-4-7-11-22,23-12-8-5-9-13-23)30-19-21-15-17-29-16-14-20(18-26)27-24(29)28-21/h4-13,20-21H,14-19,26H2,1-3H3,(H,27,28)/p+1
InChIKeyRWQVKAJTOPHZMS-UHFFFAOYSA-O
XLogP1.61
TPSA62.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.68
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze [2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2,3,4,6,7,8,9-octahydropyrimido[1,2-a]pyrimidin-5-ium-8-yl]methanamine with MolForge

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Related Compounds

tert-butyl-[[(2S,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2,3,4,6,7,8,9-octahydropyrimido[1,2-a]pyrimidin-5-ium-6-yl]methoxy]-diphenylsilane
CID 24787035
5-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidin-2-one
CID 58011546
2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutan-1-one
CID 14862243
2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutan-1-ol
CID 74035630
(2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutan-1-ol
CID 174251063
trans-(1R,3S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methylidenecyclopentan-1-ol
CID 101065622
tert-butyl-[[(3R)-morpholin-3-yl]methoxy]-diphenylsilane;hydrochloride
CID 131732786
(3S,4R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,4-dihydroxypyrrolidin-2-one
CID 10667817
tert-butyl-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexyl]methoxy]-diphenylsilane
CID 102242282
N-[[(2S,8S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2,3,4,6,7,8,9-octahydropyrimido[1,2-a]pyrimidin-5-ium-8-yl]methyl]-2-[15-[2-[N-[[(2S,8S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2,3,4,6,7,8,9-octahydropyrimido[1,2-a]pyrimidin-5-ium-8-yl]methyl]-C-hydroxycarbonimidoyl]phenyl]-2,8,12,18-tetraethyl-3,7,13,17-tetramethyl-21,23-dihydroporphyrin-5-yl]benzenecarboximidic acid
CID 101177580
tert-butyl-[(2-methylcyclopentyl)methoxy]-diphenylsilane
CID 123161962
[(2S,8S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,2,3,4,6,7,8,9-octahydropyrimido[1,2-a]pyrimidin-5-ium-8-yl]methyl 4-(dimethylamino)benzoate
CID 101173894

Frequently Asked Questions

What is the IUPAC name of [2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2,3,4,6,7,8,9-octahydropyrimido[1,2-a]pyrimidin-5-ium-8-yl]methanamine?
The IUPAC name of [2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2,3,4,6,7,8,9-octahydropyrimido[1,2-a]pyrimidin-5-ium-8-yl]methanamine (CID 73101123) is [2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2,3,4,6,7,8,9-octahydropyrimido[1,2-a]pyrimidin-5-ium-8-yl]methanamine.
What is the SMILES notation for [2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2,3,4,6,7,8,9-octahydropyrimido[1,2-a]pyrimidin-5-ium-8-yl]methanamine?
The canonical SMILES for [2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2,3,4,6,7,8,9-octahydropyrimido[1,2-a]pyrimidin-5-ium-8-yl]methanamine is CC(C)(C)[Si](OCC1CC[N+]2=C(NC(CN)CC2)N1)(c1ccccc1)c1ccccc1.
What is the InChIKey of [2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2,3,4,6,7,8,9-octahydropyrimido[1,2-a]pyrimidin-5-ium-8-yl]methanamine?
The InChIKey is RWQVKAJTOPHZMS-UHFFFAOYSA-O. The full InChI is InChI=1S/C25H36N4OSi/c1-25(2,3)31(22-10-6-4-7-11-22,23-12-8-5-9-13-23)30-19-21-15-17-29-16-14-20(18-26)27-24(29)28-21/h4-13,20-21H,14-19,26H2,1-3H3,(H,27,28)/p+1.
What are the key properties of [2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2,3,4,6,7,8,9-octahydropyrimido[1,2-a]pyrimidin-5-ium-8-yl]methanamine?
[2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2,3,4,6,7,8,9-octahydropyrimido[1,2-a]pyrimidin-5-ium-8-yl]methanamine has a molecular weight of 437.68 g/mol, XLogP of 1.61, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2,3,4,6,7,8,9-octahydropyrimido[1,2-a]pyrimidin-5-ium-8-yl]methanamine is sourced from PubChem (CID 73101123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).