N-(4,6-dimethoxypyrimidin-2-yl)carbamate

C7H8N3O4- — CID 22648732

IUPACN-(4,6-dimethoxypyrimidin-2-yl)carbamate
SMILESCOc1cc(OC)nc(NC(=O)[O-])n1
InChIInChI=1S/C7H9N3O4/c1-13-4-3-5(14-2)9-6(8-4)10-7(11)12/h3H,1-2H3,(H,11,12)(H,8,9,10)/p-1
InChIKeyLVTUHHUARVWVOF-UHFFFAOYSA-M
MW198.16 g/mol
LogP-0.75
Rot. Bonds3

About N-(4,6-dimethoxypyrimidin-2-yl)carbamate

N-(4,6-dimethoxypyrimidin-2-yl)carbamate (PubChem CID 22648732) has the molecular formula C7H8N3O4- and a molecular weight of 198.16 g/mol. Its IUPAC name is N-(4,6-dimethoxypyrimidin-2-yl)carbamate.

Molecular Properties

Compound NameN-(4,6-dimethoxypyrimidin-2-yl)carbamate
PubChem CID22648732
Molecular FormulaC7H8N3O4-
Molecular Weight198.16 g/mol
Exact Mass198.05
IUPAC NameN-(4,6-dimethoxypyrimidin-2-yl)carbamate
SMILESCOc1cc(OC)nc(NC(=O)[O-])n1
InChIInChI=1S/C7H9N3O4/c1-13-4-3-5(14-2)9-6(8-4)10-7(11)12/h3H,1-2H3,(H,11,12)(H,8,9,10)/p-1
InChIKeyLVTUHHUARVWVOF-UHFFFAOYSA-M
XLogP-0.75
TPSA96.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.16
LogP ≤ 5-0.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4,6-dimethoxypyrimidin-2-yl)-3-hydroxyurea
CID 134822106
N-(4,6-dimethoxypyrimidin-2-yl)-3-oxobutanamide
CID 117058957
N-(4,6-dimethoxypyrimidin-2-yl)-2-hydroxy-2-methylpropanamide
CID 107626294
N-(4,6-dimethoxypyrimidin-2-yl)benzamide
CID 4270193
4-[(4,6-dimethoxypyrimidin-2-yl)amino]-4-oxobutanoic acid
CID 107624804
N-(4,6-dimethoxypyrimidin-2-yl)-2,6-dihydroxybenzamide
CID 107689719
(2R,5S)-5-[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]oxolane-2-carboxylic acid
CID 107624816
1-(4,6-dimethoxypyrimidin-2-yl)-3-[methyl(methylsulfonyl)sulfamoyl]urea
CID 19607508
2-amino-N-(4,6-dimethoxypyrimidin-2-yl)-3-methoxypropanamide
CID 107625774
4-[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]-1H-imidazole-5-carboxylic acid
CID 107624813
(2S)-2-amino-N-(4,6-dimethoxypyrimidin-2-yl)-3-methylpentanamide
CID 107625737
N-(4,6-dimethoxypyrimidin-2-yl)-2-phenylpropanamide
CID 71620621

Frequently Asked Questions

What is the IUPAC name of N-(4,6-dimethoxypyrimidin-2-yl)carbamate?
The IUPAC name of N-(4,6-dimethoxypyrimidin-2-yl)carbamate (CID 22648732) is N-(4,6-dimethoxypyrimidin-2-yl)carbamate.
What is the SMILES notation for N-(4,6-dimethoxypyrimidin-2-yl)carbamate?
The canonical SMILES for N-(4,6-dimethoxypyrimidin-2-yl)carbamate is COc1cc(OC)nc(NC(=O)[O-])n1.
What is the InChIKey of N-(4,6-dimethoxypyrimidin-2-yl)carbamate?
The InChIKey is LVTUHHUARVWVOF-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H9N3O4/c1-13-4-3-5(14-2)9-6(8-4)10-7(11)12/h3H,1-2H3,(H,11,12)(H,8,9,10)/p-1.
What are the key properties of N-(4,6-dimethoxypyrimidin-2-yl)carbamate?
N-(4,6-dimethoxypyrimidin-2-yl)carbamate has a molecular weight of 198.16 g/mol, XLogP of -0.75, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dimethoxypyrimidin-2-yl)carbamate is sourced from PubChem (CID 22648732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).