pyrrolidin-1-yl-(2-pyrrolidin-1-ylpyrimidin-5-yl)methanone

C13H18N4O — CID 6625212

IUPACpyrrolidin-1-yl-(2-pyrrolidin-1-ylpyrimidin-5-yl)methanone
SMILESO=C(c1cnc(N2CCCC2)nc1)N1CCCC1
InChIInChI=1S/C13H18N4O/c18-12(16-5-1-2-6-16)11-9-14-13(15-10-11)17-7-3-4-8-17/h9-10H,1-8H2
InChIKeyHAYSJPCHVMVJBV-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.31
Rot. Bonds2

About pyrrolidin-1-yl-(2-pyrrolidin-1-ylpyrimidin-5-yl)methanone

pyrrolidin-1-yl-(2-pyrrolidin-1-ylpyrimidin-5-yl)methanone (PubChem CID 6625212) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is pyrrolidin-1-yl-(2-pyrrolidin-1-ylpyrimidin-5-yl)methanone.

Molecular Properties

Compound Namepyrrolidin-1-yl-(2-pyrrolidin-1-ylpyrimidin-5-yl)methanone
PubChem CID6625212
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Namepyrrolidin-1-yl-(2-pyrrolidin-1-ylpyrimidin-5-yl)methanone
SMILESO=C(c1cnc(N2CCCC2)nc1)N1CCCC1
InChIInChI=1S/C13H18N4O/c18-12(16-5-1-2-6-16)11-9-14-13(15-10-11)17-7-3-4-8-17/h9-10H,1-8H2
InChIKeyHAYSJPCHVMVJBV-UHFFFAOYSA-N
XLogP1.31
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of pyrrolidin-1-yl-(2-pyrrolidin-1-ylpyrimidin-5-yl)methanone?
The IUPAC name of pyrrolidin-1-yl-(2-pyrrolidin-1-ylpyrimidin-5-yl)methanone (CID 6625212) is pyrrolidin-1-yl-(2-pyrrolidin-1-ylpyrimidin-5-yl)methanone.
What is the SMILES notation for pyrrolidin-1-yl-(2-pyrrolidin-1-ylpyrimidin-5-yl)methanone?
The canonical SMILES for pyrrolidin-1-yl-(2-pyrrolidin-1-ylpyrimidin-5-yl)methanone is O=C(c1cnc(N2CCCC2)nc1)N1CCCC1.
What is the InChIKey of pyrrolidin-1-yl-(2-pyrrolidin-1-ylpyrimidin-5-yl)methanone?
The InChIKey is HAYSJPCHVMVJBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c18-12(16-5-1-2-6-16)11-9-14-13(15-10-11)17-7-3-4-8-17/h9-10H,1-8H2.
What are the key properties of pyrrolidin-1-yl-(2-pyrrolidin-1-ylpyrimidin-5-yl)methanone?
pyrrolidin-1-yl-(2-pyrrolidin-1-ylpyrimidin-5-yl)methanone has a molecular weight of 246.31 g/mol, XLogP of 1.31, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolidin-1-yl-(2-pyrrolidin-1-ylpyrimidin-5-yl)methanone is sourced from PubChem (CID 6625212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).