4-methyl-N'-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidine-1-carboximidamide

C12H19N5O — CID 135875006

IUPAC4-methyl-N'-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidine-1-carboximidamide
SMILESCc1cc(=O)[nH]c(N=C(N)N2CCC(C)CC2)n1
InChIInChI=1S/C12H19N5O/c1-8-3-5-17(6-4-8)11(13)16-12-14-9(2)7-10(18)15-12/h7-8H,3-6H2,1-2H3,(H3,13,14,15,16,18)
InChIKeyJOTUJXSWRPNVNP-UHFFFAOYSA-N
MW249.32 g/mol
LogP0.76
Rot. Bonds1

About 4-methyl-N'-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidine-1-carboximidamide

4-methyl-N'-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidine-1-carboximidamide (PubChem CID 135875006) has the molecular formula C12H19N5O and a molecular weight of 249.32 g/mol. Its IUPAC name is 4-methyl-N'-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidine-1-carboximidamide.

Molecular Properties

Compound Name4-methyl-N'-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidine-1-carboximidamide
PubChem CID135875006
Molecular FormulaC12H19N5O
Molecular Weight249.32 g/mol
Exact Mass249.16
IUPAC Name4-methyl-N'-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidine-1-carboximidamide
SMILESCc1cc(=O)[nH]c(N=C(N)N2CCC(C)CC2)n1
InChIInChI=1S/C12H19N5O/c1-8-3-5-17(6-4-8)11(13)16-12-14-9(2)7-10(18)15-12/h7-8H,3-6H2,1-2H3,(H3,13,14,15,16,18)
InChIKeyJOTUJXSWRPNVNP-UHFFFAOYSA-N
XLogP0.76
TPSA87.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

6-Methyl-2-(piperidin-1-yl)pyrimidin-4-ol
CID 135406154
2-(4-aminopiperidin-1-yl)-6-methylpyrimidin-4(3H)-one dihydrochloride
CID 137017015
2-(3-Aminopiperidin-1-yl)-6-methyl-3,4-dihydropyrimidin-4-one dihydrochloride
CID 137154967
6-Ethyl-2-(piperidin-1-YL)pyrimidin-4-OL
CID 135573221
2-isopropyl-6-[(4-methylpiperidino)methyl]-4(3H)-pyrimidinone
CID 136046576
4-(difluoromethyl)-2-(3-ethylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 137160189
2-(4,4-difluoropiperidin-1-yl)-4-methyl-1H-pyrimidin-6-one
CID 178584947
4-methyl-N'-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperazine-1-carboximidamide
CID 135931796
2-(4-methylpiperidin-1-yl)-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 136371500
2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 136371501
2-(3,5-dimethylpiperidin-1-yl)-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 136371585
2-[3-(4-methylpiperidin-1-yl)propylamino]-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 136741336

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N'-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidine-1-carboximidamide?
The IUPAC name of 4-methyl-N'-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidine-1-carboximidamide (CID 135875006) is 4-methyl-N'-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidine-1-carboximidamide.
What is the SMILES notation for 4-methyl-N'-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidine-1-carboximidamide?
The canonical SMILES for 4-methyl-N'-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidine-1-carboximidamide is Cc1cc(=O)[nH]c(N=C(N)N2CCC(C)CC2)n1.
What is the InChIKey of 4-methyl-N'-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidine-1-carboximidamide?
The InChIKey is JOTUJXSWRPNVNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O/c1-8-3-5-17(6-4-8)11(13)16-12-14-9(2)7-10(18)15-12/h7-8H,3-6H2,1-2H3,(H3,13,14,15,16,18).
What are the key properties of 4-methyl-N'-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidine-1-carboximidamide?
4-methyl-N'-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidine-1-carboximidamide has a molecular weight of 249.32 g/mol, XLogP of 0.76, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N'-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidine-1-carboximidamide is sourced from PubChem (CID 135875006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).