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

C22H44N4O — CID 135145131

IUPACN,N-dibutyl-5-[1-[3-(dimethylamino)propyl]-5,6-dihydro-4H-pyrimidin-2-yl]pentanamide
SMILESCCCCN(CCCC)C(=O)CCCCC1=NCCCN1CCCN(C)C
InChIInChI=1S/C22H44N4O/c1-5-7-17-26(18-8-6-2)22(27)14-10-9-13-21-23-15-11-19-25(21)20-12-16-24(3)4/h5-20H2,1-4H3
InChIKeyXOSWDVKUYYTASF-UHFFFAOYSA-N
MW380.62 g/mol
LogP4.03
Rot. Bonds15

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

N,N-dibutyl-5-[1-[3-(dimethylamino)propyl]-5,6-dihydro-4H-pyrimidin-2-yl]pentanamide (PubChem CID 135145131) has the molecular formula C22H44N4O and a molecular weight of 380.62 g/mol. Its IUPAC name is N,N-dibutyl-5-[1-[3-(dimethylamino)propyl]-5,6-dihydro-4H-pyrimidin-2-yl]pentanamide.

Molecular Properties

Compound NameN,N-dibutyl-5-[1-[3-(dimethylamino)propyl]-5,6-dihydro-4H-pyrimidin-2-yl]pentanamide
PubChem CID135145131
Molecular FormulaC22H44N4O
Molecular Weight380.62 g/mol
Exact Mass380.35
IUPAC NameN,N-dibutyl-5-[1-[3-(dimethylamino)propyl]-5,6-dihydro-4H-pyrimidin-2-yl]pentanamide
SMILESCCCCN(CCCC)C(=O)CCCCC1=NCCCN1CCCN(C)C
InChIInChI=1S/C22H44N4O/c1-5-7-17-26(18-8-6-2)22(27)14-10-9-13-21-23-15-11-19-25(21)20-12-16-24(3)4/h5-20H2,1-4H3
InChIKeyXOSWDVKUYYTASF-UHFFFAOYSA-N
XLogP4.03
TPSA39.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.62
LogP ≤ 54.03
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
5-[1-[3-(dimethylamino)propyl]-5,6-dihydro-4H-pyrimidin-2-yl]-N,N-diethylpentanamide
CID 135145231
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 N,N-dibutyl-5-[1-[3-(dimethylamino)propyl]-5,6-dihydro-4H-pyrimidin-2-yl]pentanamide?
The IUPAC name of N,N-dibutyl-5-[1-[3-(dimethylamino)propyl]-5,6-dihydro-4H-pyrimidin-2-yl]pentanamide (CID 135145131) is N,N-dibutyl-5-[1-[3-(dimethylamino)propyl]-5,6-dihydro-4H-pyrimidin-2-yl]pentanamide.
What is the SMILES notation for N,N-dibutyl-5-[1-[3-(dimethylamino)propyl]-5,6-dihydro-4H-pyrimidin-2-yl]pentanamide?
The canonical SMILES for N,N-dibutyl-5-[1-[3-(dimethylamino)propyl]-5,6-dihydro-4H-pyrimidin-2-yl]pentanamide is CCCCN(CCCC)C(=O)CCCCC1=NCCCN1CCCN(C)C.
What is the InChIKey of N,N-dibutyl-5-[1-[3-(dimethylamino)propyl]-5,6-dihydro-4H-pyrimidin-2-yl]pentanamide?
The InChIKey is XOSWDVKUYYTASF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H44N4O/c1-5-7-17-26(18-8-6-2)22(27)14-10-9-13-21-23-15-11-19-25(21)20-12-16-24(3)4/h5-20H2,1-4H3.
What are the key properties of N,N-dibutyl-5-[1-[3-(dimethylamino)propyl]-5,6-dihydro-4H-pyrimidin-2-yl]pentanamide?
N,N-dibutyl-5-[1-[3-(dimethylamino)propyl]-5,6-dihydro-4H-pyrimidin-2-yl]pentanamide has a molecular weight of 380.62 g/mol, XLogP of 4.03, 15 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutyl-5-[1-[3-(dimethylamino)propyl]-5,6-dihydro-4H-pyrimidin-2-yl]pentanamide is sourced from PubChem (CID 135145131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).