N,N-dibutyl-5-(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)pentanamide

C18H35N3O — CID 139465959

IUPACN,N-dibutyl-5-(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)pentanamide
SMILESCCCCN(CCCC)C(=O)CCCCC1=NCCCN1C
InChIInChI=1S/C18H35N3O/c1-4-6-15-21(16-7-5-2)18(22)12-9-8-11-17-19-13-10-14-20(17)3/h4-16H2,1-3H3
InChIKeyVMZIKSOIGNVEAO-UHFFFAOYSA-N
MW309.50 g/mol
LogP3.71
Rot. Bonds11

About N,N-dibutyl-5-(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)pentanamide

N,N-dibutyl-5-(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)pentanamide (PubChem CID 139465959) has the molecular formula C18H35N3O and a molecular weight of 309.50 g/mol. Its IUPAC name is N,N-dibutyl-5-(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)pentanamide.

Molecular Properties

Compound NameN,N-dibutyl-5-(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)pentanamide
PubChem CID139465959
Molecular FormulaC18H35N3O
Molecular Weight309.50 g/mol
Exact Mass309.28
IUPAC NameN,N-dibutyl-5-(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)pentanamide
SMILESCCCCN(CCCC)C(=O)CCCCC1=NCCCN1C
InChIInChI=1S/C18H35N3O/c1-4-6-15-21(16-7-5-2)18(22)12-9-8-11-17-19-13-10-14-20(17)3/h4-16H2,1-3H3
InChIKeyVMZIKSOIGNVEAO-UHFFFAOYSA-N
XLogP3.71
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.50
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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
6-(N,N-Dimethylamino)hexanoyl 2-methyl-2-imidazoline
CID 70270103
N,N-dibutyl-5-[1-[3-(dimethylamino)propyl]-5,6-dihydro-4H-pyrimidin-2-yl]pentanamide
CID 135145131
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
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
1-(1-ethyl-3,4,5,6-tetrahydro-2H-azepin-1-ium-7-yl)azepan-2-one
CID 10914296
1-(2-Heptadecyl-4,5-dihydroimidazol-1-yl)octadecan-1-one
CID 86038245

Frequently Asked Questions

What is the IUPAC name of N,N-dibutyl-5-(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)pentanamide?
The IUPAC name of N,N-dibutyl-5-(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)pentanamide (CID 139465959) is N,N-dibutyl-5-(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)pentanamide.
What is the SMILES notation for N,N-dibutyl-5-(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)pentanamide?
The canonical SMILES for N,N-dibutyl-5-(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)pentanamide is CCCCN(CCCC)C(=O)CCCCC1=NCCCN1C.
What is the InChIKey of N,N-dibutyl-5-(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)pentanamide?
The InChIKey is VMZIKSOIGNVEAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N3O/c1-4-6-15-21(16-7-5-2)18(22)12-9-8-11-17-19-13-10-14-20(17)3/h4-16H2,1-3H3.
What are the key properties of N,N-dibutyl-5-(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)pentanamide?
N,N-dibutyl-5-(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)pentanamide has a molecular weight of 309.50 g/mol, XLogP of 3.71, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutyl-5-(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)pentanamide is sourced from PubChem (CID 139465959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).