4-piperidin-1-yl-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one

C11H14N4O — CID 59161460

IUPAC4-piperidin-1-yl-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one
SMILESO=C1Cc2c(ncnc2N2CCCCC2)N1
InChIInChI=1S/C11H14N4O/c16-9-6-8-10(14-9)12-7-13-11(8)15-4-2-1-3-5-15/h7H,1-6H2,(H,12,13,14,16)
InChIKeySRULYFUDCFVKSQ-UHFFFAOYSA-N
MW218.26 g/mol
LogP0.96
Rot. Bonds1

About 4-piperidin-1-yl-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one

4-piperidin-1-yl-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one (PubChem CID 59161460) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is 4-piperidin-1-yl-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one.

Molecular Properties

Compound Name4-piperidin-1-yl-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one
PubChem CID59161460
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC Name4-piperidin-1-yl-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one
SMILESO=C1Cc2c(ncnc2N2CCCCC2)N1
InChIInChI=1S/C11H14N4O/c16-9-6-8-10(14-9)12-7-13-11(8)15-4-2-1-3-5-15/h7H,1-6H2,(H,12,13,14,16)
InChIKeySRULYFUDCFVKSQ-UHFFFAOYSA-N
XLogP0.96
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6H-Pyrrolo(2,3-d)pyrimidin-6-one, 5,7-dihydro-7-methyl-2-((1-methylethyl)amino)-, monohydrochloride
CID 3078644
4-chloro-5H,6H,7H-pyrrolo[2,3-d]pyrimidin-6-one
CID 12095870
6H-Pyrrolo(2,3-d)pyrimidin-6-one, 5,7-dihydro-7-methyl-2-(3-methyl-1-piperidinyl)-, monohydrochloride
CID 3078650
6H-Pyrrolo(2,3-d)pyrimidin-6-one, 5,7-dihydro-7-methyl-2-(4-methyl-1-piperidinyl)-, monohydrochloride
CID 3078652
6H-Pyrrolo(2,3-d)pyrimidin-6-one, 5,7-dihydro-7-methyl-2-(4-(1-methylethyl)-1-piperidinyl)-, monohydrochloride
CID 3078654
6H-Pyrrolo(2,3-d)pyrimidin-6-one, 5,7-dihydro-2-(4-ethyl-1-piperazinyl)-7-methyl-, monohydrochloride
CID 3078674
6H-Pyrrolo(2,3-d)pyrimidin-6-one, 5,7-dihydro-2-(4-butyl-1-piperazinyl)-7-methyl-, monohydrochloride
CID 3078678
2-Chloro-5,7-dihydro-6H-pyrrolo[2,3-d]pyrimidin-6-one
CID 2763296
5H-Pyrrolo[2,3-d]pyrimidin-6(7H)-one
CID 15525019
7-methyl-2-piperidin-1-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 3078695
4-Amino-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one
CID 20111771
2-isopropylamino-5,6-dihydro-7-methyl-6-oxo(7H)pyrrolo[2,3-d]pyrimidine
CID 3078645

Frequently Asked Questions

What is the IUPAC name of 4-piperidin-1-yl-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one?
The IUPAC name of 4-piperidin-1-yl-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one (CID 59161460) is 4-piperidin-1-yl-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one.
What is the SMILES notation for 4-piperidin-1-yl-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one?
The canonical SMILES for 4-piperidin-1-yl-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one is O=C1Cc2c(ncnc2N2CCCCC2)N1.
What is the InChIKey of 4-piperidin-1-yl-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one?
The InChIKey is SRULYFUDCFVKSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c16-9-6-8-10(14-9)12-7-13-11(8)15-4-2-1-3-5-15/h7H,1-6H2,(H,12,13,14,16).
What are the key properties of 4-piperidin-1-yl-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one?
4-piperidin-1-yl-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one has a molecular weight of 218.26 g/mol, XLogP of 0.96, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperidin-1-yl-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one is sourced from PubChem (CID 59161460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).