5-(dimethylamino)pentyl-methyl-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]ethyl]-propylazanium

C19H37N6O2+ — CID 136627686

IUPAC5-(dimethylamino)pentyl-methyl-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]ethyl]-propylazanium
SMILESCCC[N+](C)(CCCCCN(C)C)CCNC(=O)Nc1nc(C)cc(=O)[nH]1
InChIInChI=1S/C19H36N6O2/c1-6-12-25(5,13-9-7-8-11-24(3)4)14-10-20-19(27)23-18-21-16(2)15-17(26)22-18/h15H,6-14H2,1-5H3,(H2-,20,21,22,23,26,27)/p+1
InChIKeyOBXYOPYPTURYNT-UHFFFAOYSA-O
MW381.55 g/mol
LogP1.79
Rot. Bonds12

About 5-(dimethylamino)pentyl-methyl-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]ethyl]-propylazanium

5-(dimethylamino)pentyl-methyl-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]ethyl]-propylazanium (PubChem CID 136627686) has the molecular formula C19H37N6O2+ and a molecular weight of 381.55 g/mol. Its IUPAC name is 5-(dimethylamino)pentyl-methyl-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]ethyl]-propylazanium.

Molecular Properties

Compound Name5-(dimethylamino)pentyl-methyl-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]ethyl]-propylazanium
PubChem CID136627686
Molecular FormulaC19H37N6O2+
Molecular Weight381.55 g/mol
Exact Mass381.30
IUPAC Name5-(dimethylamino)pentyl-methyl-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]ethyl]-propylazanium
SMILESCCC[N+](C)(CCCCCN(C)C)CCNC(=O)Nc1nc(C)cc(=O)[nH]1
InChIInChI=1S/C19H36N6O2/c1-6-12-25(5,13-9-7-8-11-24(3)4)14-10-20-19(27)23-18-21-16(2)15-17(26)22-18/h15H,6-14H2,1-5H3,(H2-,20,21,22,23,26,27)/p+1
InChIKeyOBXYOPYPTURYNT-UHFFFAOYSA-O
XLogP1.79
TPSA90.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.55
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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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-2-(4-methyl-2,6-dioxo-3-pentylpyrimidin-1-yl)acetamide
CID 137640869
2-(3-Aminopiperidin-1-yl)-6-methyl-3,4-dihydropyrimidin-4-one dihydrochloride
CID 137154967
N-Butyl-N'-(6-methyl-4-oxo-1,4-dihydropyrimidin-2-yl)urea
CID 135587710
2-Butylureido-6-methyl-4-pyrimidinone
CID 135708798
1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-[6-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]hexyl]urea
CID 135587708
2-(2-Amino-4-ethyl-6-oxo-1,6-dihydropyrimidin-1-YL)-N-butylacetamide
CID 53201756
1-[4-(dibutylamino)-6-oxo-1H-pyrimidin-2-yl]-3-dodecylurea
CID 136704301
1-butyl-3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)urea
CID 139249177
4-methyl-2-[4-(piperidine-1-carbonyl)piperazin-1-yl]-1H-pyrimidin-6-one
CID 135674588
4-methyl-2-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-1H-pyrimidin-6-one
CID 135719556

Frequently Asked Questions

What is the IUPAC name of 5-(dimethylamino)pentyl-methyl-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]ethyl]-propylazanium?
The IUPAC name of 5-(dimethylamino)pentyl-methyl-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]ethyl]-propylazanium (CID 136627686) is 5-(dimethylamino)pentyl-methyl-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]ethyl]-propylazanium.
What is the SMILES notation for 5-(dimethylamino)pentyl-methyl-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]ethyl]-propylazanium?
The canonical SMILES for 5-(dimethylamino)pentyl-methyl-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]ethyl]-propylazanium is CCC[N+](C)(CCCCCN(C)C)CCNC(=O)Nc1nc(C)cc(=O)[nH]1.
What is the InChIKey of 5-(dimethylamino)pentyl-methyl-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]ethyl]-propylazanium?
The InChIKey is OBXYOPYPTURYNT-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H36N6O2/c1-6-12-25(5,13-9-7-8-11-24(3)4)14-10-20-19(27)23-18-21-16(2)15-17(26)22-18/h15H,6-14H2,1-5H3,(H2-,20,21,22,23,26,27)/p+1.
What are the key properties of 5-(dimethylamino)pentyl-methyl-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]ethyl]-propylazanium?
5-(dimethylamino)pentyl-methyl-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]ethyl]-propylazanium has a molecular weight of 381.55 g/mol, XLogP of 1.79, 12 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylamino)pentyl-methyl-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]ethyl]-propylazanium is sourced from PubChem (CID 136627686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).