methyl N-(2-amino-6-oxo-1H-pyrimidin-4-yl)carbamate

C6H8N4O3 — CID 135964809

IUPACmethyl N-(2-amino-6-oxo-1H-pyrimidin-4-yl)carbamate
SMILESCOC(=O)Nc1cc(=O)[nH]c(N)n1
InChIInChI=1S/C6H8N4O3/c1-13-6(12)9-3-2-4(11)10-5(7)8-3/h2H,1H3,(H4,7,8,9,10,11,12)
InChIKeyGDQFQDAFVQRGPV-UHFFFAOYSA-N
MW184.16 g/mol
LogP-0.47
Rot. Bonds1

About methyl N-(2-amino-6-oxo-1H-pyrimidin-4-yl)carbamate

methyl N-(2-amino-6-oxo-1H-pyrimidin-4-yl)carbamate (PubChem CID 135964809) has the molecular formula C6H8N4O3 and a molecular weight of 184.16 g/mol. Its IUPAC name is methyl N-(2-amino-6-oxo-1H-pyrimidin-4-yl)carbamate.

Molecular Properties

Compound Namemethyl N-(2-amino-6-oxo-1H-pyrimidin-4-yl)carbamate
PubChem CID135964809
Molecular FormulaC6H8N4O3
Molecular Weight184.16 g/mol
Exact Mass184.06
IUPAC Namemethyl N-(2-amino-6-oxo-1H-pyrimidin-4-yl)carbamate
SMILESCOC(=O)Nc1cc(=O)[nH]c(N)n1
InChIInChI=1S/C6H8N4O3/c1-13-6(12)9-3-2-4(11)10-5(7)8-3/h2H,1H3,(H4,7,8,9,10,11,12)
InChIKeyGDQFQDAFVQRGPV-UHFFFAOYSA-N
XLogP-0.47
TPSA110.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.16
LogP ≤ 5-0.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

6-Amino-2-methoxy-3,4-dihydropyrimidin-4-one
CID 135404214
2-Amino-4-hydroxy-6-methoxypyrimidine
CID 1532133
2,6-diaminopyrimidin-4(3H)-one monohydrate
CID 135898821
Methoxycarbonylaminopyrimidin-4-one
CID 101705348
N,N'-(6-hydroxypyrimidine-2,4-diyl)diacetamide
CID 135506785
2-Amino-6-ethoxypyrimidin-4(3H)-one
CID 587657
2-Methoxy-4-methoxy-6-hydroxypyrimidine
CID 12258855
(2-amino-6-oxo-1H-pyrimidin-4-yl) acetate
CID 57038123
(2-amino-6-oxo-1H-pyrimidin-4-yl) formate
CID 89381788
2-(4-amino-6-oxo-1H-pyrimidin-2-yl)guanidine
CID 135773170
N-(4-amino-6-oxo-1H-pyrimidin-2-yl)acetamide
CID 135773172
6-Amino-2-ethoxypyrimidin-4(3H)-one
CID 135885525

Frequently Asked Questions

What is the IUPAC name of methyl N-(2-amino-6-oxo-1H-pyrimidin-4-yl)carbamate?
The IUPAC name of methyl N-(2-amino-6-oxo-1H-pyrimidin-4-yl)carbamate (CID 135964809) is methyl N-(2-amino-6-oxo-1H-pyrimidin-4-yl)carbamate.
What is the SMILES notation for methyl N-(2-amino-6-oxo-1H-pyrimidin-4-yl)carbamate?
The canonical SMILES for methyl N-(2-amino-6-oxo-1H-pyrimidin-4-yl)carbamate is COC(=O)Nc1cc(=O)[nH]c(N)n1.
What is the InChIKey of methyl N-(2-amino-6-oxo-1H-pyrimidin-4-yl)carbamate?
The InChIKey is GDQFQDAFVQRGPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N4O3/c1-13-6(12)9-3-2-4(11)10-5(7)8-3/h2H,1H3,(H4,7,8,9,10,11,12).
What are the key properties of methyl N-(2-amino-6-oxo-1H-pyrimidin-4-yl)carbamate?
methyl N-(2-amino-6-oxo-1H-pyrimidin-4-yl)carbamate has a molecular weight of 184.16 g/mol, XLogP of -0.47, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(2-amino-6-oxo-1H-pyrimidin-4-yl)carbamate is sourced from PubChem (CID 135964809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).