4-(2-piperidin-1-ylethyl)-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one

C13H20N4O — CID 5009424

IUPAC4-(2-piperidin-1-ylethyl)-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one
SMILESO=c1nc2c(c(CCN3CCCCC3)[nH]1)CCN2
InChIInChI=1S/C13H20N4O/c18-13-15-11(10-4-6-14-12(10)16-13)5-9-17-7-2-1-3-8-17/h1-9H2,(H2,14,15,16,18)
InChIKeyPXJGPHCKTRUOOG-UHFFFAOYSA-N
MW248.33 g/mol
LogP0.77
Rot. Bonds3

About 4-(2-piperidin-1-ylethyl)-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one

4-(2-piperidin-1-ylethyl)-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one (PubChem CID 5009424) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 4-(2-piperidin-1-ylethyl)-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one.

Molecular Properties

Compound Name4-(2-piperidin-1-ylethyl)-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one
PubChem CID5009424
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name4-(2-piperidin-1-ylethyl)-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one
SMILESO=c1nc2c(c(CCN3CCCCC3)[nH]1)CCN2
InChIInChI=1S/C13H20N4O/c18-13-15-11(10-4-6-14-12(10)16-13)5-9-17-7-2-1-3-8-17/h1-9H2,(H2,14,15,16,18)
InChIKeyPXJGPHCKTRUOOG-UHFFFAOYSA-N
XLogP0.77
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-Ethyl-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one
CID 3303938
4-(Piperidin-1-ylmethyl)-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one
CID 3447840
4-(1-Ethylpiperidin-3-yl)-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one
CID 3504387
4-(1-Ethylpiperidin-2-yl)-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one
CID 3504390
4-(1-Methylpiperidin-4-yl)-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one
CID 3664646
4-(2-Piperidin-1-ylethyl)-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidine-2-thione
CID 3900203
4-Butyl-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one
CID 4029920
4-(2-Piperidin-1-ylethyl)-3,5,6,7,8,9-hexahydropyrimido[4,5-b]azepin-2-one
CID 4044755
4-(1-Ethylpiperidin-4-yl)-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one
CID 4222357
4-(1-Methylpiperidin-2-yl)-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one
CID 5028253
4-(1-Methylpiperidin-3-yl)-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one
CID 5037739
4-Piperidin-1-yl-1,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-2-one
CID 83863067

Frequently Asked Questions

What is the IUPAC name of 4-(2-piperidin-1-ylethyl)-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one?
The IUPAC name of 4-(2-piperidin-1-ylethyl)-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one (CID 5009424) is 4-(2-piperidin-1-ylethyl)-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one.
What is the SMILES notation for 4-(2-piperidin-1-ylethyl)-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one?
The canonical SMILES for 4-(2-piperidin-1-ylethyl)-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one is O=c1nc2c(c(CCN3CCCCC3)[nH]1)CCN2.
What is the InChIKey of 4-(2-piperidin-1-ylethyl)-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one?
The InChIKey is PXJGPHCKTRUOOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c18-13-15-11(10-4-6-14-12(10)16-13)5-9-17-7-2-1-3-8-17/h1-9H2,(H2,14,15,16,18).
What are the key properties of 4-(2-piperidin-1-ylethyl)-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one?
4-(2-piperidin-1-ylethyl)-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one has a molecular weight of 248.33 g/mol, XLogP of 0.77, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-piperidin-1-ylethyl)-3,5,6,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one is sourced from PubChem (CID 5009424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).