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

C11H18N6O — CID 135931796

IUPAC4-methyl-N'-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperazine-1-carboximidamide
SMILESCc1cc(=O)[nH]c(N=C(N)N2CCN(C)CC2)n1
InChIInChI=1S/C11H18N6O/c1-8-7-9(18)14-11(13-8)15-10(12)17-5-3-16(2)4-6-17/h7H,3-6H2,1-2H3,(H3,12,13,14,15,18)
InChIKeyQLOMQGYWLOQLRD-UHFFFAOYSA-N
MW250.31 g/mol
LogP-0.73
Rot. Bonds1

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

4-methyl-N'-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperazine-1-carboximidamide (PubChem CID 135931796) has the molecular formula C11H18N6O and a molecular weight of 250.31 g/mol. Its IUPAC name is 4-methyl-N'-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperazine-1-carboximidamide.

Molecular Properties

Compound Name4-methyl-N'-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperazine-1-carboximidamide
PubChem CID135931796
Molecular FormulaC11H18N6O
Molecular Weight250.31 g/mol
Exact Mass250.15
IUPAC Name4-methyl-N'-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperazine-1-carboximidamide
SMILESCc1cc(=O)[nH]c(N=C(N)N2CCN(C)CC2)n1
InChIInChI=1S/C11H18N6O/c1-8-7-9(18)14-11(13-8)15-10(12)17-5-3-16(2)4-6-17/h7H,3-6H2,1-2H3,(H3,12,13,14,15,18)
InChIKeyQLOMQGYWLOQLRD-UHFFFAOYSA-N
XLogP-0.73
TPSA90.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.31
LogP ≤ 5-0.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N'-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperazine-1-carboximidamide?
The IUPAC name of 4-methyl-N'-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperazine-1-carboximidamide (CID 135931796) is 4-methyl-N'-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperazine-1-carboximidamide.
What is the SMILES notation for 4-methyl-N'-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperazine-1-carboximidamide?
The canonical SMILES for 4-methyl-N'-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperazine-1-carboximidamide is Cc1cc(=O)[nH]c(N=C(N)N2CCN(C)CC2)n1.
What is the InChIKey of 4-methyl-N'-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperazine-1-carboximidamide?
The InChIKey is QLOMQGYWLOQLRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N6O/c1-8-7-9(18)14-11(13-8)15-10(12)17-5-3-16(2)4-6-17/h7H,3-6H2,1-2H3,(H3,12,13,14,15,18).
What are the key properties of 4-methyl-N'-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperazine-1-carboximidamide?
4-methyl-N'-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperazine-1-carboximidamide has a molecular weight of 250.31 g/mol, XLogP of -0.73, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N'-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperazine-1-carboximidamide is sourced from PubChem (CID 135931796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).