4,5-di(pyrimidin-2-yl)pyrrolidine-2-carboxamide

C13H14N6O — CID 154995662

IUPAC4,5-di(pyrimidin-2-yl)pyrrolidine-2-carboxamide
SMILESNC(=O)C1CC(c2ncccn2)C(c2ncccn2)N1
InChIInChI=1S/C13H14N6O/c14-11(20)9-7-8(12-15-3-1-4-16-12)10(19-9)13-17-5-2-6-18-13/h1-6,8-10,19H,7H2,(H2,14,20)
InChIKeyQPZYSXZPIUSJNN-UHFFFAOYSA-N
MW270.30 g/mol
LogP-0.06
Rot. Bonds3

About 4,5-di(pyrimidin-2-yl)pyrrolidine-2-carboxamide

4,5-di(pyrimidin-2-yl)pyrrolidine-2-carboxamide (PubChem CID 154995662) has the molecular formula C13H14N6O and a molecular weight of 270.30 g/mol. Its IUPAC name is 4,5-di(pyrimidin-2-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name4,5-di(pyrimidin-2-yl)pyrrolidine-2-carboxamide
PubChem CID154995662
Molecular FormulaC13H14N6O
Molecular Weight270.30 g/mol
Exact Mass270.12
IUPAC Name4,5-di(pyrimidin-2-yl)pyrrolidine-2-carboxamide
SMILESNC(=O)C1CC(c2ncccn2)C(c2ncccn2)N1
InChIInChI=1S/C13H14N6O/c14-11(20)9-7-8(12-15-3-1-4-16-12)10(19-9)13-17-5-2-6-18-13/h1-6,8-10,19H,7H2,(H2,14,20)
InChIKeyQPZYSXZPIUSJNN-UHFFFAOYSA-N
XLogP-0.06
TPSA106.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.30
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4,5-di(pyrimidin-2-yl)pyrrolidine-2-carboxamide?
The IUPAC name of 4,5-di(pyrimidin-2-yl)pyrrolidine-2-carboxamide (CID 154995662) is 4,5-di(pyrimidin-2-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 4,5-di(pyrimidin-2-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for 4,5-di(pyrimidin-2-yl)pyrrolidine-2-carboxamide is NC(=O)C1CC(c2ncccn2)C(c2ncccn2)N1.
What is the InChIKey of 4,5-di(pyrimidin-2-yl)pyrrolidine-2-carboxamide?
The InChIKey is QPZYSXZPIUSJNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N6O/c14-11(20)9-7-8(12-15-3-1-4-16-12)10(19-9)13-17-5-2-6-18-13/h1-6,8-10,19H,7H2,(H2,14,20).
What are the key properties of 4,5-di(pyrimidin-2-yl)pyrrolidine-2-carboxamide?
4,5-di(pyrimidin-2-yl)pyrrolidine-2-carboxamide has a molecular weight of 270.30 g/mol, XLogP of -0.06, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-di(pyrimidin-2-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 154995662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).