3-methyl-6-(3-pyrazol-1-ylpyrrolidin-1-yl)-1H-pyrimidine-2,4-dione

C12H15N5O2 — CID 126946488

IUPAC3-methyl-6-(3-pyrazol-1-ylpyrrolidin-1-yl)-1H-pyrimidine-2,4-dione
SMILESCn1c(=O)cc(N2CCC(n3cccn3)C2)[nH]c1=O
InChIInChI=1S/C12H15N5O2/c1-15-11(18)7-10(14-12(15)19)16-6-3-9(8-16)17-5-2-4-13-17/h2,4-5,7,9H,3,6,8H2,1H3,(H,14,19)
InChIKeyJXDSHOQJTJWUMQ-UHFFFAOYSA-N
MW261.28 g/mol
LogP-0.28
Rot. Bonds2

About 3-methyl-6-(3-pyrazol-1-ylpyrrolidin-1-yl)-1H-pyrimidine-2,4-dione

3-methyl-6-(3-pyrazol-1-ylpyrrolidin-1-yl)-1H-pyrimidine-2,4-dione (PubChem CID 126946488) has the molecular formula C12H15N5O2 and a molecular weight of 261.28 g/mol. Its IUPAC name is 3-methyl-6-(3-pyrazol-1-ylpyrrolidin-1-yl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-methyl-6-(3-pyrazol-1-ylpyrrolidin-1-yl)-1H-pyrimidine-2,4-dione
PubChem CID126946488
Molecular FormulaC12H15N5O2
Molecular Weight261.28 g/mol
Exact Mass261.12
IUPAC Name3-methyl-6-(3-pyrazol-1-ylpyrrolidin-1-yl)-1H-pyrimidine-2,4-dione
SMILESCn1c(=O)cc(N2CCC(n3cccn3)C2)[nH]c1=O
InChIInChI=1S/C12H15N5O2/c1-15-11(18)7-10(14-12(15)19)16-6-3-9(8-16)17-5-2-4-13-17/h2,4-5,7,9H,3,6,8H2,1H3,(H,14,19)
InChIKeyJXDSHOQJTJWUMQ-UHFFFAOYSA-N
XLogP-0.28
TPSA75.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 5-0.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-(3-hydroxypyrrolidin-1-yl)-3-methyl-1H-pyrimidine-2,4-dione
CID 56770229
3-methyl-6-[(3S)-3-[(1-phenylimidazol-2-yl)methylamino]pyrrolidin-1-yl]-1H-pyrimidine-2,4-dione
CID 167814865
2-methyl-4-(3-pyrazol-1-ylpyrrolidin-1-yl)pyridine
CID 126946437
1-methyl-6-[(3-pyrazol-1-ylpyrrolidin-1-yl)methyl]pyrazin-2-one
CID 126946527
4,5-dimethyl-2-(3-pyrazol-1-ylpyrrolidin-1-yl)-1,3-thiazole
CID 126946675
3-methyl-6-[4-[(3-methyl-6-oxopyridazin-1-yl)methyl]piperidin-1-yl]-1H-pyrimidine-2,4-dione
CID 126863992
N-[1-(3-methyl-2,4-dioxo-1H-pyrimidin-6-yl)piperidin-4-yl]pyrimidine-4-carboxamide
CID 175648871
6-[5-(6-cyclobutylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-3-methyl-1H-pyrimidine-2,4-dione
CID 126933724
6-[4-[[benzyl(methyl)amino]methyl]piperidin-1-yl]-3-methyl-1H-pyrimidine-2,4-dione
CID 138014765
3-methyl-6-[3-(4-methylpyrazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]-1H-pyrimidine-2,4-dione
CID 154830380
2-methyl-4-(3-pyrazol-1-ylpyrrolidin-1-yl)pyrazolo[1,5-a]pyrazine
CID 126946467
4-methyl-2-(3-pyrazol-1-ylpyrrolidin-1-yl)quinoline
CID 126946631

Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-(3-pyrazol-1-ylpyrrolidin-1-yl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 3-methyl-6-(3-pyrazol-1-ylpyrrolidin-1-yl)-1H-pyrimidine-2,4-dione (CID 126946488) is 3-methyl-6-(3-pyrazol-1-ylpyrrolidin-1-yl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 3-methyl-6-(3-pyrazol-1-ylpyrrolidin-1-yl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 3-methyl-6-(3-pyrazol-1-ylpyrrolidin-1-yl)-1H-pyrimidine-2,4-dione is Cn1c(=O)cc(N2CCC(n3cccn3)C2)[nH]c1=O.
What is the InChIKey of 3-methyl-6-(3-pyrazol-1-ylpyrrolidin-1-yl)-1H-pyrimidine-2,4-dione?
The InChIKey is JXDSHOQJTJWUMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2/c1-15-11(18)7-10(14-12(15)19)16-6-3-9(8-16)17-5-2-4-13-17/h2,4-5,7,9H,3,6,8H2,1H3,(H,14,19).
What are the key properties of 3-methyl-6-(3-pyrazol-1-ylpyrrolidin-1-yl)-1H-pyrimidine-2,4-dione?
3-methyl-6-(3-pyrazol-1-ylpyrrolidin-1-yl)-1H-pyrimidine-2,4-dione has a molecular weight of 261.28 g/mol, XLogP of -0.28, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-(3-pyrazol-1-ylpyrrolidin-1-yl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 126946488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).