dimethyl-[6-[methyl-[3-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]propyl]azaniumyl]hexyl]azanium

C18H36N6O2+2 — CID 143920290

IUPACdimethyl-[6-[methyl-[3-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]propyl]azaniumyl]hexyl]azanium
SMILESCc1cc(=O)[nH]c(NC(=O)NCCC[NH+](C)CCCCCC[NH+](C)C)n1
InChIInChI=1S/C18H34N6O2/c1-15-14-16(25)21-17(20-15)22-18(26)19-10-9-13-24(4)12-8-6-5-7-11-23(2)3/h14H,5-13H2,1-4H3,(H3,19,20,21,22,25,26)/p+2
InChIKeyWSJXNBDTEXYJPU-UHFFFAOYSA-P
MW368.53 g/mol
LogP-1.19
Rot. Bonds12

About dimethyl-[6-[methyl-[3-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]propyl]azaniumyl]hexyl]azanium

dimethyl-[6-[methyl-[3-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]propyl]azaniumyl]hexyl]azanium (PubChem CID 143920290) has the molecular formula C18H36N6O2+2 and a molecular weight of 368.53 g/mol. Its IUPAC name is dimethyl-[6-[methyl-[3-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]propyl]azaniumyl]hexyl]azanium.

Molecular Properties

Compound Namedimethyl-[6-[methyl-[3-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]propyl]azaniumyl]hexyl]azanium
PubChem CID143920290
Molecular FormulaC18H36N6O2+2
Molecular Weight368.53 g/mol
Exact Mass368.29
IUPAC Namedimethyl-[6-[methyl-[3-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]propyl]azaniumyl]hexyl]azanium
SMILESCc1cc(=O)[nH]c(NC(=O)NCCC[NH+](C)CCCCCC[NH+](C)C)n1
InChIInChI=1S/C18H34N6O2/c1-15-14-16(25)21-17(20-15)22-18(26)19-10-9-13-24(4)12-8-6-5-7-11-23(2)3/h14H,5-13H2,1-4H3,(H3,19,20,21,22,25,26)/p+2
InChIKeyWSJXNBDTEXYJPU-UHFFFAOYSA-P
XLogP-1.19
TPSA95.76 Ų
H-Bond Donors5
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.53
LogP ≤ 5-1.19
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze dimethyl-[6-[methyl-[3-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]propyl]azaniumyl]hexyl]azanium with MolForge

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Related Compounds

2(6-isocyanatohexylaminocarbonylamino)-6-methyl-4[1H]pyrimidinone
CID 135584193
2-azepan-1-yl-N-{2-[(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)amino]ethyl}acetamide
CID 136085481
N-Butyl-N'-(6-methyl-4-oxo-1,4-dihydropyrimidin-2-yl)urea
CID 135587710
2-Butylureido-6-methyl-4-pyrimidinone
CID 135708798
2-(Azepan-1-yl)-6-methylpyrimidin-4-ol
CID 135629606
1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-[6-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]hexyl]urea
CID 135587708
1,3-Bis(5-aminoethylpentyl)-6-methyluracil
CID 129757465
1-[4-(dibutylamino)-6-oxo-1H-pyrimidin-2-yl]-3-dodecylurea
CID 136704301
1-(4-ethylhexyl)-3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)urea;1-methyl-3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)urea
CID 139212309
1-butyl-3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)urea
CID 139249177
3,3,3-trifluoro-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]propanamide
CID 136962389
N-cyclooctyl-2-({2-[(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)amino]ethyl}amino)acetamide
CID 136069379

Frequently Asked Questions

What is the IUPAC name of dimethyl-[6-[methyl-[3-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]propyl]azaniumyl]hexyl]azanium?
The IUPAC name of dimethyl-[6-[methyl-[3-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]propyl]azaniumyl]hexyl]azanium (CID 143920290) is dimethyl-[6-[methyl-[3-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]propyl]azaniumyl]hexyl]azanium.
What is the SMILES notation for dimethyl-[6-[methyl-[3-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]propyl]azaniumyl]hexyl]azanium?
The canonical SMILES for dimethyl-[6-[methyl-[3-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]propyl]azaniumyl]hexyl]azanium is Cc1cc(=O)[nH]c(NC(=O)NCCC[NH+](C)CCCCCC[NH+](C)C)n1.
What is the InChIKey of dimethyl-[6-[methyl-[3-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]propyl]azaniumyl]hexyl]azanium?
The InChIKey is WSJXNBDTEXYJPU-UHFFFAOYSA-P. The full InChI is InChI=1S/C18H34N6O2/c1-15-14-16(25)21-17(20-15)22-18(26)19-10-9-13-24(4)12-8-6-5-7-11-23(2)3/h14H,5-13H2,1-4H3,(H3,19,20,21,22,25,26)/p+2.
What are the key properties of dimethyl-[6-[methyl-[3-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]propyl]azaniumyl]hexyl]azanium?
dimethyl-[6-[methyl-[3-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]propyl]azaniumyl]hexyl]azanium has a molecular weight of 368.53 g/mol, XLogP of -1.19, 12 rotatable bonds, 5 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[6-[methyl-[3-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]propyl]azaniumyl]hexyl]azanium is sourced from PubChem (CID 143920290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).