2-N-[3,3-bis[tri(propan-2-yloxy)silyl]propyl]-1,3,5-triazine-2,4-diamine

C24H51N5O6Si2 — CID 141380909

IUPAC2-N-[3,3-bis[tri(propan-2-yloxy)silyl]propyl]-1,3,5-triazine-2,4-diamine
SMILESCC(C)O[Si](OC(C)C)(OC(C)C)C(CCNc1ncnc(N)n1)[Si](OC(C)C)(OC(C)C)OC(C)C
InChIInChI=1S/C24H51N5O6Si2/c1-16(2)30-36(31-17(3)4,32-18(5)6)22(13-14-26-24-28-15-27-23(25)29-24)37(33-19(7)8,34-20(9)10)35-21(11)12/h15-22H,13-14H2,1-12H3,(H3,25,26,27,28,29)
InChIKeyPHHRFQYVYFNYRB-UHFFFAOYSA-N
MW561.87 g/mol
LogP4.59
Rot. Bonds18

About 2-N-[3,3-bis[tri(propan-2-yloxy)silyl]propyl]-1,3,5-triazine-2,4-diamine

2-N-[3,3-bis[tri(propan-2-yloxy)silyl]propyl]-1,3,5-triazine-2,4-diamine (PubChem CID 141380909) has the molecular formula C24H51N5O6Si2 and a molecular weight of 561.87 g/mol. Its IUPAC name is 2-N-[3,3-bis[tri(propan-2-yloxy)silyl]propyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-[3,3-bis[tri(propan-2-yloxy)silyl]propyl]-1,3,5-triazine-2,4-diamine
PubChem CID141380909
Molecular FormulaC24H51N5O6Si2
Molecular Weight561.87 g/mol
Exact Mass561.34
IUPAC Name2-N-[3,3-bis[tri(propan-2-yloxy)silyl]propyl]-1,3,5-triazine-2,4-diamine
SMILESCC(C)O[Si](OC(C)C)(OC(C)C)C(CCNc1ncnc(N)n1)[Si](OC(C)C)(OC(C)C)OC(C)C
InChIInChI=1S/C24H51N5O6Si2/c1-16(2)30-36(31-17(3)4,32-18(5)6)22(13-14-26-24-28-15-27-23(25)29-24)37(33-19(7)8,34-20(9)10)35-21(11)12/h15-22H,13-14H2,1-12H3,(H3,25,26,27,28,29)
InChIKeyPHHRFQYVYFNYRB-UHFFFAOYSA-N
XLogP4.59
TPSA132.10 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds18
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500561.87
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

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-N-[3,3-bis[tri(propan-2-yloxy)silyl]propyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-[3,3-bis[tri(propan-2-yloxy)silyl]propyl]-1,3,5-triazine-2,4-diamine (CID 141380909) is 2-N-[3,3-bis[tri(propan-2-yloxy)silyl]propyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-[3,3-bis[tri(propan-2-yloxy)silyl]propyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-[3,3-bis[tri(propan-2-yloxy)silyl]propyl]-1,3,5-triazine-2,4-diamine is CC(C)O[Si](OC(C)C)(OC(C)C)C(CCNc1ncnc(N)n1)[Si](OC(C)C)(OC(C)C)OC(C)C.
What is the InChIKey of 2-N-[3,3-bis[tri(propan-2-yloxy)silyl]propyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is PHHRFQYVYFNYRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H51N5O6Si2/c1-16(2)30-36(31-17(3)4,32-18(5)6)22(13-14-26-24-28-15-27-23(25)29-24)37(33-19(7)8,34-20(9)10)35-21(11)12/h15-22H,13-14H2,1-12H3,(H3,25,26,27,28,29).
What are the key properties of 2-N-[3,3-bis[tri(propan-2-yloxy)silyl]propyl]-1,3,5-triazine-2,4-diamine?
2-N-[3,3-bis[tri(propan-2-yloxy)silyl]propyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 561.87 g/mol, XLogP of 4.59, 18 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[3,3-bis[tri(propan-2-yloxy)silyl]propyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 141380909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).