(1-methyl-2-oxopyrimidin-4-yl)carbamic acid

C6H7N3O3 — CID 67634031

IUPAC(1-methyl-2-oxopyrimidin-4-yl)carbamic acid
SMILESCn1ccc(NC(=O)O)nc1=O
InChIInChI=1S/C6H7N3O3/c1-9-3-2-4(7-5(9)10)8-6(11)12/h2-3H,1H3,(H,11,12)(H,7,8,10)
InChIKeyGITGACHMRDHKJC-UHFFFAOYSA-N
MW169.14 g/mol
LogP-0.13
Rot. Bonds1

About (1-methyl-2-oxopyrimidin-4-yl)carbamic acid

(1-methyl-2-oxopyrimidin-4-yl)carbamic acid (PubChem CID 67634031) has the molecular formula C6H7N3O3 and a molecular weight of 169.14 g/mol. Its IUPAC name is (1-methyl-2-oxopyrimidin-4-yl)carbamic acid.

Molecular Properties

Compound Name(1-methyl-2-oxopyrimidin-4-yl)carbamic acid
PubChem CID67634031
Molecular FormulaC6H7N3O3
Molecular Weight169.14 g/mol
Exact Mass169.05
IUPAC Name(1-methyl-2-oxopyrimidin-4-yl)carbamic acid
SMILESCn1ccc(NC(=O)O)nc1=O
InChIInChI=1S/C6H7N3O3/c1-9-3-2-4(7-5(9)10)8-6(11)12/h2-3H,1H3,(H,11,12)(H,7,8,10)
InChIKeyGITGACHMRDHKJC-UHFFFAOYSA-N
XLogP-0.13
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.14
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1-methyl-2-oxopyrimidin-4-yl)carbamic acid?
The IUPAC name of (1-methyl-2-oxopyrimidin-4-yl)carbamic acid (CID 67634031) is (1-methyl-2-oxopyrimidin-4-yl)carbamic acid.
What is the SMILES notation for (1-methyl-2-oxopyrimidin-4-yl)carbamic acid?
The canonical SMILES for (1-methyl-2-oxopyrimidin-4-yl)carbamic acid is Cn1ccc(NC(=O)O)nc1=O.
What is the InChIKey of (1-methyl-2-oxopyrimidin-4-yl)carbamic acid?
The InChIKey is GITGACHMRDHKJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3O3/c1-9-3-2-4(7-5(9)10)8-6(11)12/h2-3H,1H3,(H,11,12)(H,7,8,10).
What are the key properties of (1-methyl-2-oxopyrimidin-4-yl)carbamic acid?
(1-methyl-2-oxopyrimidin-4-yl)carbamic acid has a molecular weight of 169.14 g/mol, XLogP of -0.13, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methyl-2-oxopyrimidin-4-yl)carbamic acid is sourced from PubChem (CID 67634031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).