methyl N-[4-amino-6-(methoxycarbonylamino)-1,3,5-triazin-2-yl]carbamate

C7H10N6O4 — CID 141066651

IUPACmethyl N-[4-amino-6-(methoxycarbonylamino)-1,3,5-triazin-2-yl]carbamate
SMILESCOC(=O)Nc1nc(N)nc(NC(=O)OC)n1
InChIInChI=1S/C7H10N6O4/c1-16-6(14)12-4-9-3(8)10-5(11-4)13-7(15)17-2/h1-2H3,(H4,8,9,10,11,12,13,14,15)
InChIKeyTWQQSPOUZZPCLB-UHFFFAOYSA-N
MW242.19 g/mol
LogP-0.19
Rot. Bonds2

About methyl N-[4-amino-6-(methoxycarbonylamino)-1,3,5-triazin-2-yl]carbamate

methyl N-[4-amino-6-(methoxycarbonylamino)-1,3,5-triazin-2-yl]carbamate (PubChem CID 141066651) has the molecular formula C7H10N6O4 and a molecular weight of 242.19 g/mol. Its IUPAC name is methyl N-[4-amino-6-(methoxycarbonylamino)-1,3,5-triazin-2-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[4-amino-6-(methoxycarbonylamino)-1,3,5-triazin-2-yl]carbamate
PubChem CID141066651
Molecular FormulaC7H10N6O4
Molecular Weight242.19 g/mol
Exact Mass242.08
IUPAC Namemethyl N-[4-amino-6-(methoxycarbonylamino)-1,3,5-triazin-2-yl]carbamate
SMILESCOC(=O)Nc1nc(N)nc(NC(=O)OC)n1
InChIInChI=1S/C7H10N6O4/c1-16-6(14)12-4-9-3(8)10-5(11-4)13-7(15)17-2/h1-2H3,(H4,8,9,10,11,12,13,14,15)
InChIKeyTWQQSPOUZZPCLB-UHFFFAOYSA-N
XLogP-0.19
TPSA141.35 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.19
LogP ≤ 5-0.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of methyl N-[4-amino-6-(methoxycarbonylamino)-1,3,5-triazin-2-yl]carbamate?
The IUPAC name of methyl N-[4-amino-6-(methoxycarbonylamino)-1,3,5-triazin-2-yl]carbamate (CID 141066651) is methyl N-[4-amino-6-(methoxycarbonylamino)-1,3,5-triazin-2-yl]carbamate.
What is the SMILES notation for methyl N-[4-amino-6-(methoxycarbonylamino)-1,3,5-triazin-2-yl]carbamate?
The canonical SMILES for methyl N-[4-amino-6-(methoxycarbonylamino)-1,3,5-triazin-2-yl]carbamate is COC(=O)Nc1nc(N)nc(NC(=O)OC)n1.
What is the InChIKey of methyl N-[4-amino-6-(methoxycarbonylamino)-1,3,5-triazin-2-yl]carbamate?
The InChIKey is TWQQSPOUZZPCLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N6O4/c1-16-6(14)12-4-9-3(8)10-5(11-4)13-7(15)17-2/h1-2H3,(H4,8,9,10,11,12,13,14,15).
What are the key properties of methyl N-[4-amino-6-(methoxycarbonylamino)-1,3,5-triazin-2-yl]carbamate?
methyl N-[4-amino-6-(methoxycarbonylamino)-1,3,5-triazin-2-yl]carbamate has a molecular weight of 242.19 g/mol, XLogP of -0.19, 2 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[4-amino-6-(methoxycarbonylamino)-1,3,5-triazin-2-yl]carbamate is sourced from PubChem (CID 141066651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).