(2-methylpyrimidin-5-yl)carbamic acid

C6H7N3O2 — CID 66692419

IUPAC(2-methylpyrimidin-5-yl)carbamic acid
SMILESCc1ncc(NC(=O)O)cn1
InChIInChI=1S/C6H7N3O2/c1-4-7-2-5(3-8-4)9-6(10)11/h2-3,9H,1H3,(H,10,11)
InChIKeyGQWAJQXSVPALCH-UHFFFAOYSA-N
MW153.14 g/mol
LogP0.87
Rot. Bonds1

About (2-methylpyrimidin-5-yl)carbamic acid

(2-methylpyrimidin-5-yl)carbamic acid (PubChem CID 66692419) has the molecular formula C6H7N3O2 and a molecular weight of 153.14 g/mol. Its IUPAC name is (2-methylpyrimidin-5-yl)carbamic acid.

Molecular Properties

Compound Name(2-methylpyrimidin-5-yl)carbamic acid
PubChem CID66692419
Molecular FormulaC6H7N3O2
Molecular Weight153.14 g/mol
Exact Mass153.05
IUPAC Name(2-methylpyrimidin-5-yl)carbamic acid
SMILESCc1ncc(NC(=O)O)cn1
InChIInChI=1S/C6H7N3O2/c1-4-7-2-5(3-8-4)9-6(10)11/h2-3,9H,1H3,(H,10,11)
InChIKeyGQWAJQXSVPALCH-UHFFFAOYSA-N
XLogP0.87
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.14
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-methylpyrimidin-5-yl)carbamic acid?
The IUPAC name of (2-methylpyrimidin-5-yl)carbamic acid (CID 66692419) is (2-methylpyrimidin-5-yl)carbamic acid.
What is the SMILES notation for (2-methylpyrimidin-5-yl)carbamic acid?
The canonical SMILES for (2-methylpyrimidin-5-yl)carbamic acid is Cc1ncc(NC(=O)O)cn1.
What is the InChIKey of (2-methylpyrimidin-5-yl)carbamic acid?
The InChIKey is GQWAJQXSVPALCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3O2/c1-4-7-2-5(3-8-4)9-6(10)11/h2-3,9H,1H3,(H,10,11).
What are the key properties of (2-methylpyrimidin-5-yl)carbamic acid?
(2-methylpyrimidin-5-yl)carbamic acid has a molecular weight of 153.14 g/mol, XLogP of 0.87, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylpyrimidin-5-yl)carbamic acid is sourced from PubChem (CID 66692419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).