1-pyrimidin-4-ylpyrrolidine-2-carboxamide

C9H12N4O — CID 66980625

IUPAC1-pyrimidin-4-ylpyrrolidine-2-carboxamide
SMILESNC(=O)C1CCCN1c1ccncn1
InChIInChI=1S/C9H12N4O/c10-9(14)7-2-1-5-13(7)8-3-4-11-6-12-8/h3-4,6-7H,1-2,5H2,(H2,10,14)
InChIKeyDLSHRXQCNNIXRZ-UHFFFAOYSA-N
MW192.22 g/mol
LogP-0.07
Rot. Bonds2

About 1-pyrimidin-4-ylpyrrolidine-2-carboxamide

1-pyrimidin-4-ylpyrrolidine-2-carboxamide (PubChem CID 66980625) has the molecular formula C9H12N4O and a molecular weight of 192.22 g/mol. Its IUPAC name is 1-pyrimidin-4-ylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-pyrimidin-4-ylpyrrolidine-2-carboxamide
PubChem CID66980625
Molecular FormulaC9H12N4O
Molecular Weight192.22 g/mol
Exact Mass192.10
IUPAC Name1-pyrimidin-4-ylpyrrolidine-2-carboxamide
SMILESNC(=O)C1CCCN1c1ccncn1
InChIInChI=1S/C9H12N4O/c10-9(14)7-2-1-5-13(7)8-3-4-11-6-12-8/h3-4,6-7H,1-2,5H2,(H2,10,14)
InChIKeyDLSHRXQCNNIXRZ-UHFFFAOYSA-N
XLogP-0.07
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-pyrimidin-4-ylpyrrolidine-2-carboxamide?
The IUPAC name of 1-pyrimidin-4-ylpyrrolidine-2-carboxamide (CID 66980625) is 1-pyrimidin-4-ylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-pyrimidin-4-ylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-pyrimidin-4-ylpyrrolidine-2-carboxamide is NC(=O)C1CCCN1c1ccncn1.
What is the InChIKey of 1-pyrimidin-4-ylpyrrolidine-2-carboxamide?
The InChIKey is DLSHRXQCNNIXRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O/c10-9(14)7-2-1-5-13(7)8-3-4-11-6-12-8/h3-4,6-7H,1-2,5H2,(H2,10,14).
What are the key properties of 1-pyrimidin-4-ylpyrrolidine-2-carboxamide?
1-pyrimidin-4-ylpyrrolidine-2-carboxamide has a molecular weight of 192.22 g/mol, XLogP of -0.07, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrimidin-4-ylpyrrolidine-2-carboxamide is sourced from PubChem (CID 66980625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).