1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-2-(2-piperidin-1-ylethyl)guanidine

C13H22N6O — CID 135762369

IUPAC1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-2-(2-piperidin-1-ylethyl)guanidine
SMILESCc1cc(=O)[nH]c(N/C(N)=N/CCN2CCCCC2)n1
InChIInChI=1S/C13H22N6O/c1-10-9-11(20)17-13(16-10)18-12(14)15-5-8-19-6-3-2-4-7-19/h9H,2-8H2,1H3,(H4,14,15,16,17,18,20)
InChIKeyJGODCNYCEYRGSC-UHFFFAOYSA-N
MW278.36 g/mol
LogP0.29
Rot. Bonds4

About 1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-2-(2-piperidin-1-ylethyl)guanidine

1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-2-(2-piperidin-1-ylethyl)guanidine (PubChem CID 135762369) has the molecular formula C13H22N6O and a molecular weight of 278.36 g/mol. Its IUPAC name is 1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-2-(2-piperidin-1-ylethyl)guanidine.

Molecular Properties

Compound Name1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-2-(2-piperidin-1-ylethyl)guanidine
PubChem CID135762369
Molecular FormulaC13H22N6O
Molecular Weight278.36 g/mol
Exact Mass278.19
IUPAC Name1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-2-(2-piperidin-1-ylethyl)guanidine
SMILESCc1cc(=O)[nH]c(N/C(N)=N/CCN2CCCCC2)n1
InChIInChI=1S/C13H22N6O/c1-10-9-11(20)17-13(16-10)18-12(14)15-5-8-19-6-3-2-4-7-19/h9H,2-8H2,1H3,(H4,14,15,16,17,18,20)
InChIKeyJGODCNYCEYRGSC-UHFFFAOYSA-N
XLogP0.29
TPSA99.40 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 50.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-2-(2-piperidin-1-ylethyl)guanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-benzyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)guanidine
CID 135417572
3-(azocan-1-yl)-N-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]ethyl]propanamide
CID 136665226
2-[2-(azepan-1-yl)ethyl]-1-(3,5-dimethylphenyl)guanidine;hydroiodide
CID 111056993
2-chloro-N-(4-methyl-6-oxo-1H-pyrimidin-2-yl)acetamide
CID 135511505
1-(2-isocyanatoethyl)-3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)urea
CID 139347372
N'-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidine-1-carboximidamide
CID 135954388
1-ethyl-2-(2-piperidin-1-ylethyl)guanidine
CID 62363121
2-butyl-1-(6-oxo-4-phenyl-1H-pyrimidin-2-yl)guanidine
CID 137271554
1-(3,5-dimethylphenyl)-2-(4-pyrrolidin-1-ylbutyl)guanidine;hydroiodide
CID 111059744
[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]urea
CID 137232321
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(2-piperidin-1-ylethyl)guanidine
CID 119117746
1-(3,5-dimethylphenyl)-2-[2-(4-ethylpiperazin-1-yl)ethyl]guanidine
CID 111057172

Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-2-(2-piperidin-1-ylethyl)guanidine?
The IUPAC name of 1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-2-(2-piperidin-1-ylethyl)guanidine (CID 135762369) is 1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-2-(2-piperidin-1-ylethyl)guanidine.
What is the SMILES notation for 1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-2-(2-piperidin-1-ylethyl)guanidine?
The canonical SMILES for 1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-2-(2-piperidin-1-ylethyl)guanidine is Cc1cc(=O)[nH]c(N/C(N)=N/CCN2CCCCC2)n1.
What is the InChIKey of 1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-2-(2-piperidin-1-ylethyl)guanidine?
The InChIKey is JGODCNYCEYRGSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N6O/c1-10-9-11(20)17-13(16-10)18-12(14)15-5-8-19-6-3-2-4-7-19/h9H,2-8H2,1H3,(H4,14,15,16,17,18,20).
What are the key properties of 1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-2-(2-piperidin-1-ylethyl)guanidine?
1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-2-(2-piperidin-1-ylethyl)guanidine has a molecular weight of 278.36 g/mol, XLogP of 0.29, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-2-(2-piperidin-1-ylethyl)guanidine is sourced from PubChem (CID 135762369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).