2-(3-aminopiperidin-1-yl)-5-pyrrolidin-1-yl-1H-pyrimidin-6-one

C13H21N5O — CID 141111973

IUPAC2-(3-aminopiperidin-1-yl)-5-pyrrolidin-1-yl-1H-pyrimidin-6-one
SMILESNC1CCCN(c2ncc(N3CCCC3)c(=O)[nH]2)C1
InChIInChI=1S/C13H21N5O/c14-10-4-3-7-18(9-10)13-15-8-11(12(19)16-13)17-5-1-2-6-17/h8,10H,1-7,9,14H2,(H,15,16,19)
InChIKeyKWSGDIFVRJCOMI-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.30
Rot. Bonds2

About 2-(3-aminopiperidin-1-yl)-5-pyrrolidin-1-yl-1H-pyrimidin-6-one

2-(3-aminopiperidin-1-yl)-5-pyrrolidin-1-yl-1H-pyrimidin-6-one (PubChem CID 141111973) has the molecular formula C13H21N5O and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-(3-aminopiperidin-1-yl)-5-pyrrolidin-1-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(3-aminopiperidin-1-yl)-5-pyrrolidin-1-yl-1H-pyrimidin-6-one
PubChem CID141111973
Molecular FormulaC13H21N5O
Molecular Weight263.34 g/mol
Exact Mass263.17
IUPAC Name2-(3-aminopiperidin-1-yl)-5-pyrrolidin-1-yl-1H-pyrimidin-6-one
SMILESNC1CCCN(c2ncc(N3CCCC3)c(=O)[nH]2)C1
InChIInChI=1S/C13H21N5O/c14-10-4-3-7-18(9-10)13-15-8-11(12(19)16-13)17-5-1-2-6-17/h8,10H,1-7,9,14H2,(H,15,16,19)
InChIKeyKWSGDIFVRJCOMI-UHFFFAOYSA-N
XLogP0.30
TPSA78.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3R)-3-aminopiperidin-1-yl]-5-fluoro-1H-pyrimidin-6-one
CID 141182437
2-(3-aminopiperidin-1-yl)-5-fluoro-1H-pyrimidin-6-one
CID 149709905
5-amino-2-piperidin-1-yl-1H-pyrimidin-6-one
CID 20276628
5-amino-2-(cyclohexylamino)-1H-pyrimidin-6-one
CID 20276668
5-amino-2-pyrrolidin-1-yl-1H-pyrimidin-6-one
CID 20276682
5-amino-2-piperazin-1-yl-1H-pyrimidin-6-one
CID 20276732
5-amino-2-(cyclopentylamino)-1H-pyrimidin-6-one
CID 20276774
2-[(1-propylpiperidin-3-yl)amino]-1H-pyrimidin-6-one
CID 69361416
2-(piperidin-3-ylamino)-1H-pyrimidin-6-one
CID 89543813
5-Amino-3-methyl-2-(2-methylpiperazin-1-yl)pyrimidin-4-one
CID 141540266
2-[3-[[1-(2-amino-6-oxo-1H-pyrimidin-5-yl)piperidin-4-yl]methylamino]propyl]guanidine
CID 144172949
2-(piperidin-2-ylmethylamino)-1H-pyrimidin-6-one
CID 145572095

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopiperidin-1-yl)-5-pyrrolidin-1-yl-1H-pyrimidin-6-one?
The IUPAC name of 2-(3-aminopiperidin-1-yl)-5-pyrrolidin-1-yl-1H-pyrimidin-6-one (CID 141111973) is 2-(3-aminopiperidin-1-yl)-5-pyrrolidin-1-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(3-aminopiperidin-1-yl)-5-pyrrolidin-1-yl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(3-aminopiperidin-1-yl)-5-pyrrolidin-1-yl-1H-pyrimidin-6-one is NC1CCCN(c2ncc(N3CCCC3)c(=O)[nH]2)C1.
What is the InChIKey of 2-(3-aminopiperidin-1-yl)-5-pyrrolidin-1-yl-1H-pyrimidin-6-one?
The InChIKey is KWSGDIFVRJCOMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O/c14-10-4-3-7-18(9-10)13-15-8-11(12(19)16-13)17-5-1-2-6-17/h8,10H,1-7,9,14H2,(H,15,16,19).
What are the key properties of 2-(3-aminopiperidin-1-yl)-5-pyrrolidin-1-yl-1H-pyrimidin-6-one?
2-(3-aminopiperidin-1-yl)-5-pyrrolidin-1-yl-1H-pyrimidin-6-one has a molecular weight of 263.34 g/mol, XLogP of 0.30, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopiperidin-1-yl)-5-pyrrolidin-1-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 141111973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).