N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butylpentanamide

C17H30N4O3 — CID 31491993

IUPACN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butylpentanamide
SMILESCCCCC(=O)N(CCCC)c1c(N)n(CCCC)c(=O)[nH]c1=O
InChIInChI=1S/C17H30N4O3/c1-4-7-10-13(22)20(11-8-5-2)14-15(18)21(12-9-6-3)17(24)19-16(14)23/h4-12,18H2,1-3H3,(H,19,23,24)
InChIKeyPADICYSPECOQGO-UHFFFAOYSA-N
MW338.45 g/mol
LogP2.24
Rot. Bonds10

About N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butylpentanamide

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butylpentanamide (PubChem CID 31491993) has the molecular formula C17H30N4O3 and a molecular weight of 338.45 g/mol. Its IUPAC name is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butylpentanamide.

Molecular Properties

Compound NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butylpentanamide
PubChem CID31491993
Molecular FormulaC17H30N4O3
Molecular Weight338.45 g/mol
Exact Mass338.23
IUPAC NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butylpentanamide
SMILESCCCCC(=O)N(CCCC)c1c(N)n(CCCC)c(=O)[nH]c1=O
InChIInChI=1S/C17H30N4O3/c1-4-7-10-13(22)20(11-8-5-2)14-15(18)21(12-9-6-3)17(24)19-16(14)23/h4-12,18H2,1-3H3,(H,19,23,24)
InChIKeyPADICYSPECOQGO-UHFFFAOYSA-N
XLogP2.24
TPSA101.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-4-chlorobutanamide
CID 2113269
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-3-cyclohexylpropanamide
CID 42999818
butyl 4-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-pentylamino]-4-oxobutanoate
CID 35539392
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide
CID 27283033
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-4-(4-methylphenoxy)-N-pentylbutanamide
CID 26205772
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-4-chloro-N-(2-methylpropyl)butanamide
CID 2393558
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-4-phenylbutanamide
CID 55754269
benzyl 4-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-pentylamino]-4-oxobutanoate
CID 42987801
N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-3-methylbut-2-enamide
CID 30659872
[2-[(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-butylamino]-2-oxoethyl] 2-methylpropanoate
CID 7782512
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-pentylpropanamide
CID 30971314
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-2-(1-phenylethylamino)acetamide
CID 42913361

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butylpentanamide?
The IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butylpentanamide (CID 31491993) is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butylpentanamide.
What is the SMILES notation for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butylpentanamide?
The canonical SMILES for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butylpentanamide is CCCCC(=O)N(CCCC)c1c(N)n(CCCC)c(=O)[nH]c1=O.
What is the InChIKey of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butylpentanamide?
The InChIKey is PADICYSPECOQGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4O3/c1-4-7-10-13(22)20(11-8-5-2)14-15(18)21(12-9-6-3)17(24)19-16(14)23/h4-12,18H2,1-3H3,(H,19,23,24).
What are the key properties of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butylpentanamide?
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butylpentanamide has a molecular weight of 338.45 g/mol, XLogP of 2.24, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butylpentanamide is sourced from PubChem (CID 31491993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).