N-(2-cyclopropylpyrimidin-5-yl)pyrrolidine-1-carboxamide

C12H16N4O — CID 97185463

IUPACN-(2-cyclopropylpyrimidin-5-yl)pyrrolidine-1-carboxamide
SMILESO=C(Nc1cnc(C2CC2)nc1)N1CCCC1
InChIInChI=1S/C12H16N4O/c17-12(16-5-1-2-6-16)15-10-7-13-11(14-8-10)9-3-4-9/h7-9H,1-6H2,(H,15,17)
InChIKeyVRCULDJSEVRLDL-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.98
Rot. Bonds2

About N-(2-cyclopropylpyrimidin-5-yl)pyrrolidine-1-carboxamide

N-(2-cyclopropylpyrimidin-5-yl)pyrrolidine-1-carboxamide (PubChem CID 97185463) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is N-(2-cyclopropylpyrimidin-5-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-cyclopropylpyrimidin-5-yl)pyrrolidine-1-carboxamide
PubChem CID97185463
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC NameN-(2-cyclopropylpyrimidin-5-yl)pyrrolidine-1-carboxamide
SMILESO=C(Nc1cnc(C2CC2)nc1)N1CCCC1
InChIInChI=1S/C12H16N4O/c17-12(16-5-1-2-6-16)15-10-7-13-11(14-8-10)9-3-4-9/h7-9H,1-6H2,(H,15,17)
InChIKeyVRCULDJSEVRLDL-UHFFFAOYSA-N
XLogP1.98
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropylpyrimidin-5-yl)pyrrolidine-1-carboxamide?
The IUPAC name of N-(2-cyclopropylpyrimidin-5-yl)pyrrolidine-1-carboxamide (CID 97185463) is N-(2-cyclopropylpyrimidin-5-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(2-cyclopropylpyrimidin-5-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-(2-cyclopropylpyrimidin-5-yl)pyrrolidine-1-carboxamide is O=C(Nc1cnc(C2CC2)nc1)N1CCCC1.
What is the InChIKey of N-(2-cyclopropylpyrimidin-5-yl)pyrrolidine-1-carboxamide?
The InChIKey is VRCULDJSEVRLDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c17-12(16-5-1-2-6-16)15-10-7-13-11(14-8-10)9-3-4-9/h7-9H,1-6H2,(H,15,17).
What are the key properties of N-(2-cyclopropylpyrimidin-5-yl)pyrrolidine-1-carboxamide?
N-(2-cyclopropylpyrimidin-5-yl)pyrrolidine-1-carboxamide has a molecular weight of 232.29 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropylpyrimidin-5-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 97185463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).