1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidine-4-carbohydrazide

C11H17N5O2 — CID 136668699

IUPAC1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidine-4-carbohydrazide
SMILESCc1cc(=O)[nH]c(N2CCC(C(=O)NN)CC2)n1
InChIInChI=1S/C11H17N5O2/c1-7-6-9(17)14-11(13-7)16-4-2-8(3-5-16)10(18)15-12/h6,8H,2-5,12H2,1H3,(H,15,18)(H,13,14,17)
InChIKeyTVGLEWOWFSURDQ-UHFFFAOYSA-N
MW251.29 g/mol
LogP-0.72
Rot. Bonds2

About 1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidine-4-carbohydrazide

1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidine-4-carbohydrazide (PubChem CID 136668699) has the molecular formula C11H17N5O2 and a molecular weight of 251.29 g/mol. Its IUPAC name is 1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidine-4-carbohydrazide.

Molecular Properties

Compound Name1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidine-4-carbohydrazide
PubChem CID136668699
Molecular FormulaC11H17N5O2
Molecular Weight251.29 g/mol
Exact Mass251.14
IUPAC Name1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidine-4-carbohydrazide
SMILESCc1cc(=O)[nH]c(N2CCC(C(=O)NN)CC2)n1
InChIInChI=1S/C11H17N5O2/c1-7-6-9(17)14-11(13-7)16-4-2-8(3-5-16)10(18)15-12/h6,8H,2-5,12H2,1H3,(H,15,18)(H,13,14,17)
InChIKeyTVGLEWOWFSURDQ-UHFFFAOYSA-N
XLogP-0.72
TPSA104.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 5-0.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-methyl-2-(4-methylpiperidin-1-yl)pyrimidin-4(3H)-one
CID 135629605
2-(4-ethylpiperidin-1-yl)-4-methyl-1H-pyrimidin-6-one
CID 137160188
5-[[4-(methylaminomethyl)piperidin-1-yl]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 63248993
1-[2-(4-Methyl-6-oxopyrimidin-1-yl)acetyl]piperidine-4-carbohydrazide
CID 63571322
5-[[4-[2-(methylamino)ethyl]piperidin-1-yl]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 64029600
1-[5-(chloromethyl)-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]piperidine-4-carboxamide
CID 71563613
5-methyl-2-(4-methylpiperidin-1-yl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 71563687
5-[[ethyl(piperidin-4-ylmethyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 79705515
5-[[methyl(piperidin-4-ylmethyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 79716540
5-[[4-(ethylaminomethyl)piperidin-1-yl]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 80546138
4-methyl-N'-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidine-1-carboximidamide
CID 135875006
1-[N'-(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamimidoyl]piperidine-4-carboxamide
CID 135875007

Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidine-4-carbohydrazide?
The IUPAC name of 1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidine-4-carbohydrazide (CID 136668699) is 1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidine-4-carbohydrazide.
What is the SMILES notation for 1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidine-4-carbohydrazide?
The canonical SMILES for 1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidine-4-carbohydrazide is Cc1cc(=O)[nH]c(N2CCC(C(=O)NN)CC2)n1.
What is the InChIKey of 1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidine-4-carbohydrazide?
The InChIKey is TVGLEWOWFSURDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O2/c1-7-6-9(17)14-11(13-7)16-4-2-8(3-5-16)10(18)15-12/h6,8H,2-5,12H2,1H3,(H,15,18)(H,13,14,17).
What are the key properties of 1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidine-4-carbohydrazide?
1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidine-4-carbohydrazide has a molecular weight of 251.29 g/mol, XLogP of -0.72, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidine-4-carbohydrazide is sourced from PubChem (CID 136668699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).