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

C11H15N5O — CID 59161471

IUPAC4-(4-aminopiperidin-1-yl)-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one
SMILESNC1CCN(c2ncnc3c2CC(=O)N3)CC1
InChIInChI=1S/C11H15N5O/c12-7-1-3-16(4-2-7)11-8-5-9(17)15-10(8)13-6-14-11/h6-7H,1-5,12H2,(H,13,14,15,17)
InChIKeyFNZOSIMSGXPBRN-UHFFFAOYSA-N
MW233.27 g/mol
LogP-0.10
Rot. Bonds1

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

4-(4-aminopiperidin-1-yl)-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one (PubChem CID 59161471) has the molecular formula C11H15N5O and a molecular weight of 233.27 g/mol. Its IUPAC name is 4-(4-aminopiperidin-1-yl)-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one.

Molecular Properties

Compound Name4-(4-aminopiperidin-1-yl)-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one
PubChem CID59161471
Molecular FormulaC11H15N5O
Molecular Weight233.27 g/mol
Exact Mass233.13
IUPAC Name4-(4-aminopiperidin-1-yl)-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one
SMILESNC1CCN(c2ncnc3c2CC(=O)N3)CC1
InChIInChI=1S/C11H15N5O/c12-7-1-3-16(4-2-7)11-8-5-9(17)15-10(8)13-6-14-11/h6-7H,1-5,12H2,(H,13,14,15,17)
InChIKeyFNZOSIMSGXPBRN-UHFFFAOYSA-N
XLogP-0.10
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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
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
7-methyl-2-(4-methylpiperidin-1-yl)-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 3078653
3-((3R,4R)-3-((6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl)(methyl)amino)-4-methylpiperidin-1-yl)-3-oxopropanenitrile
CID 67965295
Tofacitinib metabolite-1
CID 67965296
1-[(3S,4R)-4-fluoro-3-[(5-methyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]prop-2-en-1-one
CID 132126624
4-(3,3,3-Trifluoropropylamino)-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one
CID 141366504
5,5-dimethyl-4-(2,2,2-trifluoroethylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-one
CID 141366505
5,5-dimethyl-4-(3,3,3-trifluoropropylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-one
CID 141366508
7-cyclopentyl-2-(fluoroamino)-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 143590467

Frequently Asked Questions

What is the IUPAC name of 4-(4-aminopiperidin-1-yl)-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one?
The IUPAC name of 4-(4-aminopiperidin-1-yl)-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one (CID 59161471) is 4-(4-aminopiperidin-1-yl)-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one.
What is the SMILES notation for 4-(4-aminopiperidin-1-yl)-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one?
The canonical SMILES for 4-(4-aminopiperidin-1-yl)-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one is NC1CCN(c2ncnc3c2CC(=O)N3)CC1.
What is the InChIKey of 4-(4-aminopiperidin-1-yl)-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one?
The InChIKey is FNZOSIMSGXPBRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O/c12-7-1-3-16(4-2-7)11-8-5-9(17)15-10(8)13-6-14-11/h6-7H,1-5,12H2,(H,13,14,15,17).
What are the key properties of 4-(4-aminopiperidin-1-yl)-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one?
4-(4-aminopiperidin-1-yl)-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one has a molecular weight of 233.27 g/mol, XLogP of -0.10, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminopiperidin-1-yl)-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one is sourced from PubChem (CID 59161471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).