butyl N-(4,6-diamino-1,3,5-triazin-2-yl)carbamate

C8H14N6O2 — CID 21249400

IUPACbutyl N-(4,6-diamino-1,3,5-triazin-2-yl)carbamate
SMILESCCCCOC(=O)Nc1nc(N)nc(N)n1
InChIInChI=1S/C8H14N6O2/c1-2-3-4-16-8(15)14-7-12-5(9)11-6(10)13-7/h2-4H2,1H3,(H5,9,10,11,12,13,14,15)
InChIKeyQGRPAFPKIZODMB-UHFFFAOYSA-N
MW226.24 g/mol
LogP0.38
Rot. Bonds4

About butyl N-(4,6-diamino-1,3,5-triazin-2-yl)carbamate

butyl N-(4,6-diamino-1,3,5-triazin-2-yl)carbamate (PubChem CID 21249400) has the molecular formula C8H14N6O2 and a molecular weight of 226.24 g/mol. Its IUPAC name is butyl N-(4,6-diamino-1,3,5-triazin-2-yl)carbamate.

Molecular Properties

Compound Namebutyl N-(4,6-diamino-1,3,5-triazin-2-yl)carbamate
PubChem CID21249400
Molecular FormulaC8H14N6O2
Molecular Weight226.24 g/mol
Exact Mass226.12
IUPAC Namebutyl N-(4,6-diamino-1,3,5-triazin-2-yl)carbamate
SMILESCCCCOC(=O)Nc1nc(N)nc(N)n1
InChIInChI=1S/C8H14N6O2/c1-2-3-4-16-8(15)14-7-12-5(9)11-6(10)13-7/h2-4H2,1H3,(H5,9,10,11,12,13,14,15)
InChIKeyQGRPAFPKIZODMB-UHFFFAOYSA-N
XLogP0.38
TPSA129.04 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 50.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-(4-Amino-6-ethoxy-1,3,5-triazin-2-yl)urea
CID 13296069
4,6-Dibutoxy-1,3,5-triazin-2-amine
CID 35317
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
butan-2-yl N-[4,6-bis(butan-2-yloxycarbonylamino)-1,3,5-triazin-2-yl]carbamate
CID 12040688
ethyl N-(4,6-dichloro-1,3,5-triazin-2-yl)carbamate
CID 12803246
ethyl N-(4,6-dimethoxy-1,3,5-triazin-2-yl)carbamate
CID 12803257
butyl N-[4-(butoxycarbonylamino)-1,3,5-triazin-2-yl]carbamate
CID 15483776
butyl N-(1,3,5-triazin-2-yl)carbamate
CID 15483777
butyl N-[4-amino-6-(butoxycarbonylamino)-1,3,5-triazin-2-yl]carbamate
CID 15510138

Frequently Asked Questions

What is the IUPAC name of butyl N-(4,6-diamino-1,3,5-triazin-2-yl)carbamate?
The IUPAC name of butyl N-(4,6-diamino-1,3,5-triazin-2-yl)carbamate (CID 21249400) is butyl N-(4,6-diamino-1,3,5-triazin-2-yl)carbamate.
What is the SMILES notation for butyl N-(4,6-diamino-1,3,5-triazin-2-yl)carbamate?
The canonical SMILES for butyl N-(4,6-diamino-1,3,5-triazin-2-yl)carbamate is CCCCOC(=O)Nc1nc(N)nc(N)n1.
What is the InChIKey of butyl N-(4,6-diamino-1,3,5-triazin-2-yl)carbamate?
The InChIKey is QGRPAFPKIZODMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N6O2/c1-2-3-4-16-8(15)14-7-12-5(9)11-6(10)13-7/h2-4H2,1H3,(H5,9,10,11,12,13,14,15).
What are the key properties of butyl N-(4,6-diamino-1,3,5-triazin-2-yl)carbamate?
butyl N-(4,6-diamino-1,3,5-triazin-2-yl)carbamate has a molecular weight of 226.24 g/mol, XLogP of 0.38, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for butyl N-(4,6-diamino-1,3,5-triazin-2-yl)carbamate is sourced from PubChem (CID 21249400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).