6-(3-aminopiperidine-1-carbonyl)-1H-pyrimidine-2,4-dione

C10H14N4O3 — CID 61297937

IUPAC6-(3-aminopiperidine-1-carbonyl)-1H-pyrimidine-2,4-dione
SMILESNC1CCCN(C(=O)c2cc(=O)[nH]c(=O)[nH]2)C1
InChIInChI=1S/C10H14N4O3/c11-6-2-1-3-14(5-6)9(16)7-4-8(15)13-10(17)12-7/h4,6H,1-3,5,11H2,(H2,12,13,15,17)
InChIKeyYJWRTNJCQPQTKY-UHFFFAOYSA-N
MW238.25 g/mol
LogP-1.37
Rot. Bonds1

About 6-(3-aminopiperidine-1-carbonyl)-1H-pyrimidine-2,4-dione

6-(3-aminopiperidine-1-carbonyl)-1H-pyrimidine-2,4-dione (PubChem CID 61297937) has the molecular formula C10H14N4O3 and a molecular weight of 238.25 g/mol. Its IUPAC name is 6-(3-aminopiperidine-1-carbonyl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(3-aminopiperidine-1-carbonyl)-1H-pyrimidine-2,4-dione
PubChem CID61297937
Molecular FormulaC10H14N4O3
Molecular Weight238.25 g/mol
Exact Mass238.11
IUPAC Name6-(3-aminopiperidine-1-carbonyl)-1H-pyrimidine-2,4-dione
SMILESNC1CCCN(C(=O)c2cc(=O)[nH]c(=O)[nH]2)C1
InChIInChI=1S/C10H14N4O3/c11-6-2-1-3-14(5-6)9(16)7-4-8(15)13-10(17)12-7/h4,6H,1-3,5,11H2,(H2,12,13,15,17)
InChIKeyYJWRTNJCQPQTKY-UHFFFAOYSA-N
XLogP-1.37
TPSA112.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 5-1.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3-aminoazetidine-1-carbonyl)-1H-pyrimidine-2,4-dione
CID 65244753
6-[(3R,4S)-3-amino-4-cyclopropylpyrrolidine-1-carbonyl]-1H-pyrimidine-2,4-dione
CID 72912015
6-[(3S,4R)-3-amino-4-cyclopropylpyrrolidine-1-carbonyl]-1H-pyrimidine-2,4-dione
CID 133117266
6-[3-(4-chlorophenyl)azepane-1-carbonyl]-1H-pyrimidine-2,4-dione
CID 121146641
N-[[1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)piperidin-3-yl]methyl]thiophene-2-carboxamide
CID 72870683
6-(3-piperazin-1-ylazetidine-1-carbonyl)-1H-pyrimidine-2,4-dione
CID 66202057
6-[4-(1-hydroxyethyl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione
CID 106837060
6-[2-(1-aminoethyl)morpholine-4-carbonyl]-1H-pyrimidine-2,4-dione
CID 115315193
6-[(3R)-3-(4-benzyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione
CID 95218749
(3-aminopiperidin-1-yl)-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]methanone;hydrochloride
CID 119377654
(3-aminopiperidin-1-yl)-(5-methyl-1H-pyrazol-3-yl)methanone;hydrochloride
CID 119378378
(3-aminopiperidin-1-yl)-[3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazol-5-yl]methanone;hydrochloride
CID 119381724

Frequently Asked Questions

What is the IUPAC name of 6-(3-aminopiperidine-1-carbonyl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-(3-aminopiperidine-1-carbonyl)-1H-pyrimidine-2,4-dione (CID 61297937) is 6-(3-aminopiperidine-1-carbonyl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-(3-aminopiperidine-1-carbonyl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-(3-aminopiperidine-1-carbonyl)-1H-pyrimidine-2,4-dione is NC1CCCN(C(=O)c2cc(=O)[nH]c(=O)[nH]2)C1.
What is the InChIKey of 6-(3-aminopiperidine-1-carbonyl)-1H-pyrimidine-2,4-dione?
The InChIKey is YJWRTNJCQPQTKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O3/c11-6-2-1-3-14(5-6)9(16)7-4-8(15)13-10(17)12-7/h4,6H,1-3,5,11H2,(H2,12,13,15,17).
What are the key properties of 6-(3-aminopiperidine-1-carbonyl)-1H-pyrimidine-2,4-dione?
6-(3-aminopiperidine-1-carbonyl)-1H-pyrimidine-2,4-dione has a molecular weight of 238.25 g/mol, XLogP of -1.37, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-aminopiperidine-1-carbonyl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 61297937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).