butan-2-yl N-[4,6-bis(butan-2-yloxycarbonylamino)-1,3,5-triazin-2-yl]carbamate

C18H30N6O6 — CID 12040688

IUPACbutan-2-yl N-[4,6-bis(butan-2-yloxycarbonylamino)-1,3,5-triazin-2-yl]carbamate
SMILESCCC(C)OC(=O)Nc1nc(NC(=O)OC(C)CC)nc(NC(=O)OC(C)CC)n1
InChIInChI=1S/C18H30N6O6/c1-7-10(4)28-16(25)22-13-19-14(23-17(26)29-11(5)8-2)21-15(20-13)24-18(27)30-12(6)9-3/h10-12H,7-9H2,1-6H3,(H3,19,20,21,22,23,24,25,26,27)
InChIKeyQXIXIADXKHHPFK-UHFFFAOYSA-N
MW426.47 g/mol
LogP3.91
Rot. Bonds9

About butan-2-yl N-[4,6-bis(butan-2-yloxycarbonylamino)-1,3,5-triazin-2-yl]carbamate

butan-2-yl N-[4,6-bis(butan-2-yloxycarbonylamino)-1,3,5-triazin-2-yl]carbamate (PubChem CID 12040688) has the molecular formula C18H30N6O6 and a molecular weight of 426.47 g/mol. Its IUPAC name is butan-2-yl N-[4,6-bis(butan-2-yloxycarbonylamino)-1,3,5-triazin-2-yl]carbamate.

Molecular Properties

Compound Namebutan-2-yl N-[4,6-bis(butan-2-yloxycarbonylamino)-1,3,5-triazin-2-yl]carbamate
PubChem CID12040688
Molecular FormulaC18H30N6O6
Molecular Weight426.47 g/mol
Exact Mass426.22
IUPAC Namebutan-2-yl N-[4,6-bis(butan-2-yloxycarbonylamino)-1,3,5-triazin-2-yl]carbamate
SMILESCCC(C)OC(=O)Nc1nc(NC(=O)OC(C)CC)nc(NC(=O)OC(C)CC)n1
InChIInChI=1S/C18H30N6O6/c1-7-10(4)28-16(25)22-13-19-14(23-17(26)29-11(5)8-2)21-15(20-13)24-18(27)30-12(6)9-3/h10-12H,7-9H2,1-6H3,(H3,19,20,21,22,23,24,25,26,27)
InChIKeyQXIXIADXKHHPFK-UHFFFAOYSA-N
XLogP3.91
TPSA153.66 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.47
LogP ≤ 53.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Analyze butan-2-yl N-[4,6-bis(butan-2-yloxycarbonylamino)-1,3,5-triazin-2-yl]carbamate with MolForge

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Related Compounds

ethyl N-[4,6-bis(ethoxycarbonylamino)-1,3,5-triazin-2-yl]carbamate
CID 11142409
butyl N-[4,6-bis(butoxycarbonylamino)-1,3,5-triazin-2-yl]carbamate
CID 11384776
methyl N-[4,6-bis(butoxycarbonylamino)-1,3,5-triazin-2-yl]carbamate
CID 11394993
butyl N-[4,6-bis(methoxycarbonylamino)-1,3,5-triazin-2-yl]carbamate
CID 11416586
ethyl N-(4,6-dimethoxy-1,3,5-triazin-2-yl)carbamate
CID 12803257
butyl N-[4-amino-6-(butoxycarbonylamino)-1,3,5-triazin-2-yl]carbamate
CID 15510138
Propyl carbamate;1,3,5-triazine-2,4,6-triamine
CID 17991412
butyl N-(4,6-diamino-1,3,5-triazin-2-yl)carbamate
CID 21249400
1-methoxybutyl N-[4,6-bis(1-methoxybutoxycarbonylamino)-1,3,5-triazin-2-yl]carbamate
CID 22098085
octan-3-yl N-[4,6-bis(octan-3-yloxycarbonylamino)-1,3,5-triazin-2-yl]carbamate
CID 23105060
4-methoxybutyl N-[4,6-bis(4-methoxybutoxycarbonylamino)-1,3,5-triazin-2-yl]carbamate
CID 53655030
propan-2-yl N-[4,6-bis(methylamino)-1,3,5-triazin-2-yl]-N-methylcarbamate
CID 59582231

Frequently Asked Questions

What is the IUPAC name of butan-2-yl N-[4,6-bis(butan-2-yloxycarbonylamino)-1,3,5-triazin-2-yl]carbamate?
The IUPAC name of butan-2-yl N-[4,6-bis(butan-2-yloxycarbonylamino)-1,3,5-triazin-2-yl]carbamate (CID 12040688) is butan-2-yl N-[4,6-bis(butan-2-yloxycarbonylamino)-1,3,5-triazin-2-yl]carbamate.
What is the SMILES notation for butan-2-yl N-[4,6-bis(butan-2-yloxycarbonylamino)-1,3,5-triazin-2-yl]carbamate?
The canonical SMILES for butan-2-yl N-[4,6-bis(butan-2-yloxycarbonylamino)-1,3,5-triazin-2-yl]carbamate is CCC(C)OC(=O)Nc1nc(NC(=O)OC(C)CC)nc(NC(=O)OC(C)CC)n1.
What is the InChIKey of butan-2-yl N-[4,6-bis(butan-2-yloxycarbonylamino)-1,3,5-triazin-2-yl]carbamate?
The InChIKey is QXIXIADXKHHPFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N6O6/c1-7-10(4)28-16(25)22-13-19-14(23-17(26)29-11(5)8-2)21-15(20-13)24-18(27)30-12(6)9-3/h10-12H,7-9H2,1-6H3,(H3,19,20,21,22,23,24,25,26,27).
What are the key properties of butan-2-yl N-[4,6-bis(butan-2-yloxycarbonylamino)-1,3,5-triazin-2-yl]carbamate?
butan-2-yl N-[4,6-bis(butan-2-yloxycarbonylamino)-1,3,5-triazin-2-yl]carbamate has a molecular weight of 426.47 g/mol, XLogP of 3.91, 9 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-yl N-[4,6-bis(butan-2-yloxycarbonylamino)-1,3,5-triazin-2-yl]carbamate is sourced from PubChem (CID 12040688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).