N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3,4,5-trimethoxy-N-methylbenzamide

C19H26N4O6 — CID 8917987

IUPACN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3,4,5-trimethoxy-N-methylbenzamide
SMILESCCCCn1c(N)c(N(C)C(=O)c2cc(OC)c(OC)c(OC)c2)c(=O)[nH]c1=O
InChIInChI=1S/C19H26N4O6/c1-6-7-8-23-16(20)14(17(24)21-19(23)26)22(2)18(25)11-9-12(27-3)15(29-5)13(10-11)28-4/h9-10H,6-8,20H2,1-5H3,(H,21,24,26)
InChIKeyHNYMJHLDQNYQKZ-UHFFFAOYSA-N
MW406.44 g/mol
LogP1.22
Rot. Bonds8

About N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3,4,5-trimethoxy-N-methylbenzamide

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3,4,5-trimethoxy-N-methylbenzamide (PubChem CID 8917987) has the molecular formula C19H26N4O6 and a molecular weight of 406.44 g/mol. Its IUPAC name is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3,4,5-trimethoxy-N-methylbenzamide.

Molecular Properties

Compound NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3,4,5-trimethoxy-N-methylbenzamide
PubChem CID8917987
Molecular FormulaC19H26N4O6
Molecular Weight406.44 g/mol
Exact Mass406.19
IUPAC NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3,4,5-trimethoxy-N-methylbenzamide
SMILESCCCCn1c(N)c(N(C)C(=O)c2cc(OC)c(OC)c(OC)c2)c(=O)[nH]c1=O
InChIInChI=1S/C19H26N4O6/c1-6-7-8-23-16(20)14(17(24)21-19(23)26)22(2)18(25)11-9-12(27-3)15(29-5)13(10-11)28-4/h9-10H,6-8,20H2,1-5H3,(H,21,24,26)
InChIKeyHNYMJHLDQNYQKZ-UHFFFAOYSA-N
XLogP1.22
TPSA128.88 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.44
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-methyl-4-propoxybenzamide
CID 26196356
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-3,5-dimethoxy-4-phenylmethoxybenzamide
CID 32620486
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3,4-dimethoxy-N-(2-methylpropyl)-5-prop-2-enylbenzamide
CID 55450468
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-methyl-4-(trifluoromethyl)benzamide
CID 8917928
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(2-methoxyphenyl)-N-propylacetamide
CID 8839015
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-bromo-5-fluoro-N-methylbenzamide
CID 46611762
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-chloro-5-(diethylsulfamoyl)-N-methylbenzamide
CID 55339298
N-[4-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-methylamino]-4-oxobutyl]-4-methoxybenzamide
CID 55623438
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-4-fluoro-N-[(2-methoxyphenyl)methyl]benzamide
CID 2683038
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-methyl-2-(4-propanoylphenoxy)acetamide
CID 8918135
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-[(2-methoxyphenyl)methyl]-4-methylbenzamide
CID 4828554
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-methoxy-N-[(2-methoxyphenyl)methyl]benzamide
CID 26206430

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3,4,5-trimethoxy-N-methylbenzamide?
The IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3,4,5-trimethoxy-N-methylbenzamide (CID 8917987) is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3,4,5-trimethoxy-N-methylbenzamide.
What is the SMILES notation for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3,4,5-trimethoxy-N-methylbenzamide?
The canonical SMILES for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3,4,5-trimethoxy-N-methylbenzamide is CCCCn1c(N)c(N(C)C(=O)c2cc(OC)c(OC)c(OC)c2)c(=O)[nH]c1=O.
What is the InChIKey of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3,4,5-trimethoxy-N-methylbenzamide?
The InChIKey is HNYMJHLDQNYQKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O6/c1-6-7-8-23-16(20)14(17(24)21-19(23)26)22(2)18(25)11-9-12(27-3)15(29-5)13(10-11)28-4/h9-10H,6-8,20H2,1-5H3,(H,21,24,26).
What are the key properties of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3,4,5-trimethoxy-N-methylbenzamide?
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3,4,5-trimethoxy-N-methylbenzamide has a molecular weight of 406.44 g/mol, XLogP of 1.22, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3,4,5-trimethoxy-N-methylbenzamide is sourced from PubChem (CID 8917987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).