5-amino-4-[(6-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one

C9H13N5O2 — CID 136975709

IUPAC5-amino-4-[(6-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one
SMILESNc1c(NC2CCC(=O)NC2)nc[nH]c1=O
InChIInChI=1S/C9H13N5O2/c10-7-8(12-4-13-9(7)16)14-5-1-2-6(15)11-3-5/h4-5H,1-3,10H2,(H,11,15)(H2,12,13,14,16)
InChIKeyVYWJWMJESBRBLV-UHFFFAOYSA-N
MW223.24 g/mol
LogP-0.96
Rot. Bonds2

About 5-amino-4-[(6-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one

5-amino-4-[(6-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one (PubChem CID 136975709) has the molecular formula C9H13N5O2 and a molecular weight of 223.24 g/mol. Its IUPAC name is 5-amino-4-[(6-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-[(6-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one
PubChem CID136975709
Molecular FormulaC9H13N5O2
Molecular Weight223.24 g/mol
Exact Mass223.11
IUPAC Name5-amino-4-[(6-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one
SMILESNc1c(NC2CCC(=O)NC2)nc[nH]c1=O
InChIInChI=1S/C9H13N5O2/c10-7-8(12-4-13-9(7)16)14-5-1-2-6(15)11-3-5/h4-5H,1-3,10H2,(H,11,15)(H2,12,13,14,16)
InChIKeyVYWJWMJESBRBLV-UHFFFAOYSA-N
XLogP-0.96
TPSA112.90 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.24
LogP ≤ 5-0.96
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

3-(6-Oxo-4-piperazin-1-ylpyrimidin-1-yl)piperidine-2,6-dione
CID 134580135
3-Amino-2,5,6,6a,7,8-hexahydropyrrolo[1,2-f]pteridine-1,9-dione
CID 135991969
N-(4-amino-6-oxo-1H-pyrimidin-5-yl)-5-(diaminomethylideneamino)pentanamide
CID 169130894
(2S)-2-amino-N-(4-amino-6-oxo-1H-pyrimidin-5-yl)-5-(diaminomethylideneamino)pentanamide
CID 170132858
3-(5-Amino-4-methyl-6-oxopyrimidin-1-yl)piperidine-2,6-dione;ethane
CID 177998536
3-(5-Amino-4-methyl-6-oxopyrimidin-1-yl)piperidine-2,6-dione;ethane
CID 177998681
5-amino-4-(2-piperidin-1-ylethylamino)-1H-pyrimidin-6-one
CID 135568308
5-amino-4-piperidin-1-yl-1H-pyrimidin-6-one
CID 135786489
5-amino-4-[(3R)-3-aminopiperidin-1-yl]-1H-pyrimidin-6-one
CID 136873261
5-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]pentanamide
CID 136880884
5-iodo-4-[(2-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one
CID 136956537
2-methyl-4-[(2-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one
CID 136956538

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-[(6-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-[(6-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one (CID 136975709) is 5-amino-4-[(6-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-[(6-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-[(6-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one is Nc1c(NC2CCC(=O)NC2)nc[nH]c1=O.
What is the InChIKey of 5-amino-4-[(6-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one?
The InChIKey is VYWJWMJESBRBLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O2/c10-7-8(12-4-13-9(7)16)14-5-1-2-6(15)11-3-5/h4-5H,1-3,10H2,(H,11,15)(H2,12,13,14,16).
What are the key properties of 5-amino-4-[(6-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one?
5-amino-4-[(6-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one has a molecular weight of 223.24 g/mol, XLogP of -0.96, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-[(6-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136975709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).