1-pyrimidin-4-ylcyclopropane-1-carboxamide

C8H9N3O — CID 134209215

IUPAC1-pyrimidin-4-ylcyclopropane-1-carboxamide
SMILESNC(=O)C1(c2ccncn2)CC1
InChIInChI=1S/C8H9N3O/c9-7(12)8(2-3-8)6-1-4-10-5-11-6/h1,4-5H,2-3H2,(H2,9,12)
InChIKeyWLNCEDIZPJIBJQ-UHFFFAOYSA-N
MW163.18 g/mol
LogP-0.01
Rot. Bonds2

About 1-pyrimidin-4-ylcyclopropane-1-carboxamide

1-pyrimidin-4-ylcyclopropane-1-carboxamide (PubChem CID 134209215) has the molecular formula C8H9N3O and a molecular weight of 163.18 g/mol. Its IUPAC name is 1-pyrimidin-4-ylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-pyrimidin-4-ylcyclopropane-1-carboxamide
PubChem CID134209215
Molecular FormulaC8H9N3O
Molecular Weight163.18 g/mol
Exact Mass163.07
IUPAC Name1-pyrimidin-4-ylcyclopropane-1-carboxamide
SMILESNC(=O)C1(c2ccncn2)CC1
InChIInChI=1S/C8H9N3O/c9-7(12)8(2-3-8)6-1-4-10-5-11-6/h1,4-5H,2-3H2,(H2,9,12)
InChIKeyWLNCEDIZPJIBJQ-UHFFFAOYSA-N
XLogP-0.01
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-pyrimidin-4-ylcyclopropane-1-carboxamide?
The IUPAC name of 1-pyrimidin-4-ylcyclopropane-1-carboxamide (CID 134209215) is 1-pyrimidin-4-ylcyclopropane-1-carboxamide.
What is the SMILES notation for 1-pyrimidin-4-ylcyclopropane-1-carboxamide?
The canonical SMILES for 1-pyrimidin-4-ylcyclopropane-1-carboxamide is NC(=O)C1(c2ccncn2)CC1.
What is the InChIKey of 1-pyrimidin-4-ylcyclopropane-1-carboxamide?
The InChIKey is WLNCEDIZPJIBJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O/c9-7(12)8(2-3-8)6-1-4-10-5-11-6/h1,4-5H,2-3H2,(H2,9,12).
What are the key properties of 1-pyrimidin-4-ylcyclopropane-1-carboxamide?
1-pyrimidin-4-ylcyclopropane-1-carboxamide has a molecular weight of 163.18 g/mol, XLogP of -0.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrimidin-4-ylcyclopropane-1-carboxamide is sourced from PubChem (CID 134209215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).