pyrimidin-5-yl-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone

C13H18N4O — CID 110466868

IUPACpyrimidin-5-yl-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
SMILESO=C(c1cncnc1)N1CCC(N2CCCC2)C1
InChIInChI=1S/C13H18N4O/c18-13(11-7-14-10-15-8-11)17-6-3-12(9-17)16-4-1-2-5-16/h7-8,10,12H,1-6,9H2
InChIKeyCOYLTLVRYRCBHL-UHFFFAOYSA-N
MW246.31 g/mol
LogP0.79
Rot. Bonds2

About pyrimidin-5-yl-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone

pyrimidin-5-yl-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone (PubChem CID 110466868) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is pyrimidin-5-yl-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Namepyrimidin-5-yl-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
PubChem CID110466868
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Namepyrimidin-5-yl-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
SMILESO=C(c1cncnc1)N1CCC(N2CCCC2)C1
InChIInChI=1S/C13H18N4O/c18-13(11-7-14-10-15-8-11)17-6-3-12(9-17)16-4-1-2-5-16/h7-8,10,12H,1-6,9H2
InChIKeyCOYLTLVRYRCBHL-UHFFFAOYSA-N
XLogP0.79
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 ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3-hydroxypyrrolidin-1-yl)-pyrimidin-5-ylmethanone
CID 102922153
[(3S)-3-aminopyrrolidin-1-yl]-pyrimidin-5-ylmethanone
CID 102922341
(6-amino-3-pyridinyl)-[(3R)-3-piperidin-1-ylpyrrolidin-1-yl]methanone
CID 95026394
(4-iodophenyl)-(3-piperidin-1-ylpyrrolidin-1-yl)methanone
CID 63524427
(4-hydroxy-3-methylphenyl)-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
CID 103951868
(3-bromopiperidin-1-yl)-pyrimidin-5-ylmethanone
CID 102922724
(4-hydroxy-3-methylpiperidin-1-yl)-pyrimidin-5-ylmethanone
CID 104956560
(3-hydroxy-4-methylpiperidin-1-yl)-pyrimidin-5-ylmethanone
CID 104630335
1-(pyrimidine-5-carbonyl)piperidine-3-carbothioamide
CID 102921864
1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl-(5-hydroxy-3-pyridinyl)methanone
CID 63860883
[3-(aminomethyl)pyrrolidin-1-yl]-pyrimidin-5-ylmethanone
CID 102922233
(4-piperidin-1-ylpiperidin-1-yl)-pyridin-3-ylmethanone
CID 57017149

Frequently Asked Questions

What is the IUPAC name of pyrimidin-5-yl-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone?
The IUPAC name of pyrimidin-5-yl-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone (CID 110466868) is pyrimidin-5-yl-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone.
What is the SMILES notation for pyrimidin-5-yl-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone?
The canonical SMILES for pyrimidin-5-yl-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone is O=C(c1cncnc1)N1CCC(N2CCCC2)C1.
What is the InChIKey of pyrimidin-5-yl-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone?
The InChIKey is COYLTLVRYRCBHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c18-13(11-7-14-10-15-8-11)17-6-3-12(9-17)16-4-1-2-5-16/h7-8,10,12H,1-6,9H2.
What are the key properties of pyrimidin-5-yl-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone?
pyrimidin-5-yl-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone has a molecular weight of 246.31 g/mol, XLogP of 0.79, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pyrimidin-5-yl-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 110466868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).