N-(2-pyrrolidin-1-ylpyrimidin-5-yl)cyclopropanecarboxamide

C12H16N4O — CID 53014750

IUPACN-(2-pyrrolidin-1-ylpyrimidin-5-yl)cyclopropanecarboxamide
SMILESO=C(Nc1cnc(N2CCCC2)nc1)C1CC1
InChIInChI=1S/C12H16N4O/c17-11(9-3-4-9)15-10-7-13-12(14-8-10)16-5-1-2-6-16/h7-9H,1-6H2,(H,15,17)
InChIKeyQBKRFPWVDNNCNL-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.43
Rot. Bonds3

About N-(2-pyrrolidin-1-ylpyrimidin-5-yl)cyclopropanecarboxamide

N-(2-pyrrolidin-1-ylpyrimidin-5-yl)cyclopropanecarboxamide (PubChem CID 53014750) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is N-(2-pyrrolidin-1-ylpyrimidin-5-yl)cyclopropanecarboxamide.

Molecular Properties

Compound NameN-(2-pyrrolidin-1-ylpyrimidin-5-yl)cyclopropanecarboxamide
PubChem CID53014750
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC NameN-(2-pyrrolidin-1-ylpyrimidin-5-yl)cyclopropanecarboxamide
SMILESO=C(Nc1cnc(N2CCCC2)nc1)C1CC1
InChIInChI=1S/C12H16N4O/c17-11(9-3-4-9)15-10-7-13-12(14-8-10)16-5-1-2-6-16/h7-9H,1-6H2,(H,15,17)
InChIKeyQBKRFPWVDNNCNL-UHFFFAOYSA-N
XLogP1.43
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-pyrrolidin-1-ylpyrimidin-5-yl)cyclopropanecarboxamide?
The IUPAC name of N-(2-pyrrolidin-1-ylpyrimidin-5-yl)cyclopropanecarboxamide (CID 53014750) is N-(2-pyrrolidin-1-ylpyrimidin-5-yl)cyclopropanecarboxamide.
What is the SMILES notation for N-(2-pyrrolidin-1-ylpyrimidin-5-yl)cyclopropanecarboxamide?
The canonical SMILES for N-(2-pyrrolidin-1-ylpyrimidin-5-yl)cyclopropanecarboxamide is O=C(Nc1cnc(N2CCCC2)nc1)C1CC1.
What is the InChIKey of N-(2-pyrrolidin-1-ylpyrimidin-5-yl)cyclopropanecarboxamide?
The InChIKey is QBKRFPWVDNNCNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c17-11(9-3-4-9)15-10-7-13-12(14-8-10)16-5-1-2-6-16/h7-9H,1-6H2,(H,15,17).
What are the key properties of N-(2-pyrrolidin-1-ylpyrimidin-5-yl)cyclopropanecarboxamide?
N-(2-pyrrolidin-1-ylpyrimidin-5-yl)cyclopropanecarboxamide has a molecular weight of 232.29 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyrrolidin-1-ylpyrimidin-5-yl)cyclopropanecarboxamide is sourced from PubChem (CID 53014750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).