ethanol;2H-pyrimidine-1-carboxamide

C7H13N3O2 — CID 175306059

IUPACethanol;2H-pyrimidine-1-carboxamide
SMILESCCO.NC(=O)N1C=CC=NC1
InChIInChI=1S/C5H7N3O.C2H6O/c6-5(9)8-3-1-2-7-4-8;1-2-3/h1-3H,4H2,(H2,6,9);3H,2H2,1H3
InChIKeyFGBRFEAEKWMTRW-UHFFFAOYSA-N
MW171.20 g/mol
LogP-0.08
Rot. Bonds

About ethanol;2H-pyrimidine-1-carboxamide

ethanol;2H-pyrimidine-1-carboxamide (PubChem CID 175306059) has the molecular formula C7H13N3O2 and a molecular weight of 171.20 g/mol. Its IUPAC name is ethanol;2H-pyrimidine-1-carboxamide.

Molecular Properties

Compound Nameethanol;2H-pyrimidine-1-carboxamide
PubChem CID175306059
Molecular FormulaC7H13N3O2
Molecular Weight171.20 g/mol
Exact Mass171.10
IUPAC Nameethanol;2H-pyrimidine-1-carboxamide
SMILESCCO.NC(=O)N1C=CC=NC1
InChIInChI=1S/C5H7N3O.C2H6O/c6-5(9)8-3-1-2-7-4-8;1-2-3/h1-3H,4H2,(H2,6,9);3H,2H2,1H3
InChIKeyFGBRFEAEKWMTRW-UHFFFAOYSA-N
XLogP-0.08
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethanol;2H-pyrimidine-1-carboxamide?
The IUPAC name of ethanol;2H-pyrimidine-1-carboxamide (CID 175306059) is ethanol;2H-pyrimidine-1-carboxamide.
What is the SMILES notation for ethanol;2H-pyrimidine-1-carboxamide?
The canonical SMILES for ethanol;2H-pyrimidine-1-carboxamide is CCO.NC(=O)N1C=CC=NC1.
What is the InChIKey of ethanol;2H-pyrimidine-1-carboxamide?
The InChIKey is FGBRFEAEKWMTRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O.C2H6O/c6-5(9)8-3-1-2-7-4-8;1-2-3/h1-3H,4H2,(H2,6,9);3H,2H2,1H3.
What are the key properties of ethanol;2H-pyrimidine-1-carboxamide?
ethanol;2H-pyrimidine-1-carboxamide has a molecular weight of 171.20 g/mol, XLogP of -0.08, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethanol;2H-pyrimidine-1-carboxamide is sourced from PubChem (CID 175306059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).