5-[1-[3-(dimethylamino)propyl]-5,6-dihydro-4H-pyrimidin-2-yl]-N,N-diethylpentanamide

C18H36N4O — CID 135145231

IUPAC5-[1-[3-(dimethylamino)propyl]-5,6-dihydro-4H-pyrimidin-2-yl]-N,N-diethylpentanamide
SMILESCCN(CC)C(=O)CCCCC1=NCCCN1CCCN(C)C
InChIInChI=1S/C18H36N4O/c1-5-21(6-2)18(23)12-8-7-11-17-19-13-9-15-22(17)16-10-14-20(3)4/h5-16H2,1-4H3
InChIKeyQLWUAGNQLFQZJM-UHFFFAOYSA-N
MW324.51 g/mol
LogP2.47
Rot. Bonds11

About 5-[1-[3-(dimethylamino)propyl]-5,6-dihydro-4H-pyrimidin-2-yl]-N,N-diethylpentanamide

5-[1-[3-(dimethylamino)propyl]-5,6-dihydro-4H-pyrimidin-2-yl]-N,N-diethylpentanamide (PubChem CID 135145231) has the molecular formula C18H36N4O and a molecular weight of 324.51 g/mol. Its IUPAC name is 5-[1-[3-(dimethylamino)propyl]-5,6-dihydro-4H-pyrimidin-2-yl]-N,N-diethylpentanamide.

Molecular Properties

Compound Name5-[1-[3-(dimethylamino)propyl]-5,6-dihydro-4H-pyrimidin-2-yl]-N,N-diethylpentanamide
PubChem CID135145231
Molecular FormulaC18H36N4O
Molecular Weight324.51 g/mol
Exact Mass324.29
IUPAC Name5-[1-[3-(dimethylamino)propyl]-5,6-dihydro-4H-pyrimidin-2-yl]-N,N-diethylpentanamide
SMILESCCN(CC)C(=O)CCCCC1=NCCCN1CCCN(C)C
InChIInChI=1S/C18H36N4O/c1-5-21(6-2)18(23)12-8-7-11-17-19-13-9-15-22(17)16-10-14-20(3)4/h5-16H2,1-4H3
InChIKeyQLWUAGNQLFQZJM-UHFFFAOYSA-N
XLogP2.47
TPSA39.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.51
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2,3,4,6,7,8,9,10-Octahydropyrimido[1,2-a]azepin-5-ium-1-yl)ethanone
CID 135042300
1,2-Dipentyl-4,5-dihydropyrimidin-6-one
CID 67704553
N,N-dibutyl-5-[1-[3-(dimethylamino)propyl]-5,6-dihydro-4H-pyrimidin-2-yl]pentanamide
CID 135145131
N,N-dibutyl-5-(1,4,5,6-tetrahydropyrimidin-2-yl)pentanamide
CID 135150473
N,N-dibutyl-5-(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)pentanamide
CID 139465959
3,4,7,8,9,10-hexahydro-2H-pyrimido[1,2-a]azepin-6-one
CID 139641270
1-[2-[4-(1-Methyl-4,5-dihydroimidazol-2-yl)butyl]-4,5-dihydroimidazol-1-yl]hexan-1-one
CID 141840843
1-[2-[4-(1-Hexanoyl-4,5-dihydroimidazol-2-yl)butyl]-4,5-dihydroimidazol-1-yl]hexan-1-one
CID 141840846
5-(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)pentanamide
CID 153406061

Frequently Asked Questions

What is the IUPAC name of 5-[1-[3-(dimethylamino)propyl]-5,6-dihydro-4H-pyrimidin-2-yl]-N,N-diethylpentanamide?
The IUPAC name of 5-[1-[3-(dimethylamino)propyl]-5,6-dihydro-4H-pyrimidin-2-yl]-N,N-diethylpentanamide (CID 135145231) is 5-[1-[3-(dimethylamino)propyl]-5,6-dihydro-4H-pyrimidin-2-yl]-N,N-diethylpentanamide.
What is the SMILES notation for 5-[1-[3-(dimethylamino)propyl]-5,6-dihydro-4H-pyrimidin-2-yl]-N,N-diethylpentanamide?
The canonical SMILES for 5-[1-[3-(dimethylamino)propyl]-5,6-dihydro-4H-pyrimidin-2-yl]-N,N-diethylpentanamide is CCN(CC)C(=O)CCCCC1=NCCCN1CCCN(C)C.
What is the InChIKey of 5-[1-[3-(dimethylamino)propyl]-5,6-dihydro-4H-pyrimidin-2-yl]-N,N-diethylpentanamide?
The InChIKey is QLWUAGNQLFQZJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N4O/c1-5-21(6-2)18(23)12-8-7-11-17-19-13-9-15-22(17)16-10-14-20(3)4/h5-16H2,1-4H3.
What are the key properties of 5-[1-[3-(dimethylamino)propyl]-5,6-dihydro-4H-pyrimidin-2-yl]-N,N-diethylpentanamide?
5-[1-[3-(dimethylamino)propyl]-5,6-dihydro-4H-pyrimidin-2-yl]-N,N-diethylpentanamide has a molecular weight of 324.51 g/mol, XLogP of 2.47, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[3-(dimethylamino)propyl]-5,6-dihydro-4H-pyrimidin-2-yl]-N,N-diethylpentanamide is sourced from PubChem (CID 135145231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).