2-(1-methylpiperidin-4-yl)-6-oxo-1H-pyrimidine-4-carboxylic acid

C11H15N3O3 — CID 136967075

IUPAC2-(1-methylpiperidin-4-yl)-6-oxo-1H-pyrimidine-4-carboxylic acid
SMILESCN1CCC(c2nc(C(=O)O)cc(=O)[nH]2)CC1
InChIInChI=1S/C11H15N3O3/c1-14-4-2-7(3-5-14)10-12-8(11(16)17)6-9(15)13-10/h6-7H,2-5H2,1H3,(H,16,17)(H,12,13,15)
InChIKeyZQDDVFJCRKVATA-UHFFFAOYSA-N
MW237.26 g/mol
LogP0.28
Rot. Bonds2

About 2-(1-methylpiperidin-4-yl)-6-oxo-1H-pyrimidine-4-carboxylic acid

2-(1-methylpiperidin-4-yl)-6-oxo-1H-pyrimidine-4-carboxylic acid (PubChem CID 136967075) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 2-(1-methylpiperidin-4-yl)-6-oxo-1H-pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name2-(1-methylpiperidin-4-yl)-6-oxo-1H-pyrimidine-4-carboxylic acid
PubChem CID136967075
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name2-(1-methylpiperidin-4-yl)-6-oxo-1H-pyrimidine-4-carboxylic acid
SMILESCN1CCC(c2nc(C(=O)O)cc(=O)[nH]2)CC1
InChIInChI=1S/C11H15N3O3/c1-14-4-2-7(3-5-14)10-12-8(11(16)17)6-9(15)13-10/h6-7H,2-5H2,1H3,(H,16,17)(H,12,13,15)
InChIKeyZQDDVFJCRKVATA-UHFFFAOYSA-N
XLogP0.28
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-Oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxylic acid
CID 83878709
2-Isopropyl-6-oxo-1,6-dihydropyrimidine-4-carboxylic acid
CID 136108530
2-Butyl-6-oxo-3,6-dihydropyrimidine-4-carboxylic acid
CID 136401466
2-(2-Methylcyclopropyl)-6-oxo-3,6-dihydropyrimidine-4-carboxylic acid
CID 137045755
6-Oxo-2-(pentan-3-yl)-1,6-dihydropyrimidine-4-carboxylic acid
CID 137128826
4-Oxo-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidine-2-carboxylic acid hydrochloride
CID 155167587
6-Methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxylic acid
CID 83883659
7-Methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxylic acid
CID 83883660
8-Methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxylic acid
CID 83883661
9-Methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxylic acid
CID 83883662
2-(1-methylpiperidin-4-yl)-4-sulfanylidene-1H-pyrimidine-6-carboxylic acid
CID 116862507
2-(1-methylpiperidin-3-yl)-4-sulfanylidene-1H-pyrimidine-6-carboxylic acid
CID 116862508

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpiperidin-4-yl)-6-oxo-1H-pyrimidine-4-carboxylic acid?
The IUPAC name of 2-(1-methylpiperidin-4-yl)-6-oxo-1H-pyrimidine-4-carboxylic acid (CID 136967075) is 2-(1-methylpiperidin-4-yl)-6-oxo-1H-pyrimidine-4-carboxylic acid.
What is the SMILES notation for 2-(1-methylpiperidin-4-yl)-6-oxo-1H-pyrimidine-4-carboxylic acid?
The canonical SMILES for 2-(1-methylpiperidin-4-yl)-6-oxo-1H-pyrimidine-4-carboxylic acid is CN1CCC(c2nc(C(=O)O)cc(=O)[nH]2)CC1.
What is the InChIKey of 2-(1-methylpiperidin-4-yl)-6-oxo-1H-pyrimidine-4-carboxylic acid?
The InChIKey is ZQDDVFJCRKVATA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-14-4-2-7(3-5-14)10-12-8(11(16)17)6-9(15)13-10/h6-7H,2-5H2,1H3,(H,16,17)(H,12,13,15).
What are the key properties of 2-(1-methylpiperidin-4-yl)-6-oxo-1H-pyrimidine-4-carboxylic acid?
2-(1-methylpiperidin-4-yl)-6-oxo-1H-pyrimidine-4-carboxylic acid has a molecular weight of 237.26 g/mol, XLogP of 0.28, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpiperidin-4-yl)-6-oxo-1H-pyrimidine-4-carboxylic acid is sourced from PubChem (CID 136967075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).