ethane;pyrimidine-4-carboxamide

C7H11N3O — CID 167507901

IUPACethane;pyrimidine-4-carboxamide
SMILESCC.NC(=O)c1ccncn1
InChIInChI=1S/C5H5N3O.C2H6/c6-5(9)4-1-2-7-3-8-4;1-2/h1-3H,(H2,6,9);1-2H3
InChIKeyDWUVVQFBFNCXOS-UHFFFAOYSA-N
MW153.18 g/mol
LogP0.60
Rot. Bonds1

About ethane;pyrimidine-4-carboxamide

ethane;pyrimidine-4-carboxamide (PubChem CID 167507901) has the molecular formula C7H11N3O and a molecular weight of 153.18 g/mol. Its IUPAC name is ethane;pyrimidine-4-carboxamide.

Molecular Properties

Compound Nameethane;pyrimidine-4-carboxamide
PubChem CID167507901
Molecular FormulaC7H11N3O
Molecular Weight153.18 g/mol
Exact Mass153.09
IUPAC Nameethane;pyrimidine-4-carboxamide
SMILESCC.NC(=O)c1ccncn1
InChIInChI=1S/C5H5N3O.C2H6/c6-5(9)4-1-2-7-3-8-4;1-2/h1-3H,(H2,6,9);1-2H3
InChIKeyDWUVVQFBFNCXOS-UHFFFAOYSA-N
XLogP0.60
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;pyrimidine-4-carboxamide?
The IUPAC name of ethane;pyrimidine-4-carboxamide (CID 167507901) is ethane;pyrimidine-4-carboxamide.
What is the SMILES notation for ethane;pyrimidine-4-carboxamide?
The canonical SMILES for ethane;pyrimidine-4-carboxamide is CC.NC(=O)c1ccncn1.
What is the InChIKey of ethane;pyrimidine-4-carboxamide?
The InChIKey is DWUVVQFBFNCXOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N3O.C2H6/c6-5(9)4-1-2-7-3-8-4;1-2/h1-3H,(H2,6,9);1-2H3.
What are the key properties of ethane;pyrimidine-4-carboxamide?
ethane;pyrimidine-4-carboxamide has a molecular weight of 153.18 g/mol, XLogP of 0.60, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;pyrimidine-4-carboxamide is sourced from PubChem (CID 167507901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).