(4,6-dimethoxy-1,3,5-triazin-2-yl)-methylcarbamic acid

C7H10N4O4 — CID 23188737

IUPAC(4,6-dimethoxy-1,3,5-triazin-2-yl)-methylcarbamic acid
SMILESCOc1nc(OC)nc(N(C)C(=O)O)n1
InChIInChI=1S/C7H10N4O4/c1-11(7(12)13)4-8-5(14-2)10-6(9-4)15-3/h1-3H3,(H,12,13)
InChIKeyQWMGPWANXGUJFA-UHFFFAOYSA-N
MW214.18 g/mol
LogP0.00
Rot. Bonds3

About (4,6-dimethoxy-1,3,5-triazin-2-yl)-methylcarbamic acid

(4,6-dimethoxy-1,3,5-triazin-2-yl)-methylcarbamic acid (PubChem CID 23188737) has the molecular formula C7H10N4O4 and a molecular weight of 214.18 g/mol. Its IUPAC name is (4,6-dimethoxy-1,3,5-triazin-2-yl)-methylcarbamic acid.

Molecular Properties

Compound Name(4,6-dimethoxy-1,3,5-triazin-2-yl)-methylcarbamic acid
PubChem CID23188737
Molecular FormulaC7H10N4O4
Molecular Weight214.18 g/mol
Exact Mass214.07
IUPAC Name(4,6-dimethoxy-1,3,5-triazin-2-yl)-methylcarbamic acid
SMILESCOc1nc(OC)nc(N(C)C(=O)O)n1
InChIInChI=1S/C7H10N4O4/c1-11(7(12)13)4-8-5(14-2)10-6(9-4)15-3/h1-3H3,(H,12,13)
InChIKeyQWMGPWANXGUJFA-UHFFFAOYSA-N
XLogP0.00
TPSA97.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.18
LogP ≤ 50.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Hmmm TP383
CID 156601175
Hmmm TP375
CID 156601178
N-[4-[bis(hydroxymethyl)amino]-6-(dimethylamino)-1,3,5-triazin-2-yl]-N-(hydroxymethyl)formamide
CID 22762270
methyl N-[4,6-bis[methoxycarbonyl(methyl)amino]-1,3,5-triazin-2-yl]-N-methylcarbamate
CID 57802269
methyl N-[4-[methoxycarbonyl(methyl)amino]-6-(methylamino)-1,3,5-triazin-2-yl]-N-methylcarbamate
CID 59582244
methyl N-[4,6-bis(methoxycarbonylamino)-1,3,5-triazin-2-yl]-N-methylcarbamate
CID 59582246
[4,6-Bis[carboxy(methyl)amino]-1,3,5-triazin-2-yl]-methylcarbamic acid
CID 68524798
methyl N-[4-(dimethylamino)-6-[methoxycarbonyl(methyl)amino]-1,3,5-triazin-2-yl]-N-methylcarbamate
CID 68768625
Carboxy-(4,6-dimethoxy-1,3,5-triazin-2-yl)carbamic acid
CID 68787807
N-[4-[bis(hydroxymethyl)amino]-6-[formyl(hydroxymethyl)amino]-1,3,5-triazin-2-yl]-N-(hydroxymethyl)formamide
CID 118198263
methyl N-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N-methylcarbamate
CID 140398491
methyl N-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N-methoxycarbonylcarbamate
CID 141847171

Frequently Asked Questions

What is the IUPAC name of (4,6-dimethoxy-1,3,5-triazin-2-yl)-methylcarbamic acid?
The IUPAC name of (4,6-dimethoxy-1,3,5-triazin-2-yl)-methylcarbamic acid (CID 23188737) is (4,6-dimethoxy-1,3,5-triazin-2-yl)-methylcarbamic acid.
What is the SMILES notation for (4,6-dimethoxy-1,3,5-triazin-2-yl)-methylcarbamic acid?
The canonical SMILES for (4,6-dimethoxy-1,3,5-triazin-2-yl)-methylcarbamic acid is COc1nc(OC)nc(N(C)C(=O)O)n1.
What is the InChIKey of (4,6-dimethoxy-1,3,5-triazin-2-yl)-methylcarbamic acid?
The InChIKey is QWMGPWANXGUJFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O4/c1-11(7(12)13)4-8-5(14-2)10-6(9-4)15-3/h1-3H3,(H,12,13).
What are the key properties of (4,6-dimethoxy-1,3,5-triazin-2-yl)-methylcarbamic acid?
(4,6-dimethoxy-1,3,5-triazin-2-yl)-methylcarbamic acid has a molecular weight of 214.18 g/mol, XLogP of 0.00, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4,6-dimethoxy-1,3,5-triazin-2-yl)-methylcarbamic acid is sourced from PubChem (CID 23188737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).