N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-(dimethylamino)-N-(2-methoxyethyl)benzamide

C20H29N5O4 — CID 26186064

IUPACN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-(dimethylamino)-N-(2-methoxyethyl)benzamide
SMILESCCCCn1c(N)c(N(CCOC)C(=O)c2cccc(N(C)C)c2)c(=O)[nH]c1=O
InChIInChI=1S/C20H29N5O4/c1-5-6-10-25-17(21)16(18(26)22-20(25)28)24(11-12-29-4)19(27)14-8-7-9-15(13-14)23(2)3/h7-9,13H,5-6,10-12,21H2,1-4H3,(H,22,26,28)
InChIKeyZENRLHDQSCODIW-UHFFFAOYSA-N
MW403.48 g/mol
LogP1.28
Rot. Bonds9

About N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-(dimethylamino)-N-(2-methoxyethyl)benzamide

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-(dimethylamino)-N-(2-methoxyethyl)benzamide (PubChem CID 26186064) has the molecular formula C20H29N5O4 and a molecular weight of 403.48 g/mol. Its IUPAC name is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-(dimethylamino)-N-(2-methoxyethyl)benzamide.

Molecular Properties

Compound NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-(dimethylamino)-N-(2-methoxyethyl)benzamide
PubChem CID26186064
Molecular FormulaC20H29N5O4
Molecular Weight403.48 g/mol
Exact Mass403.22
IUPAC NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-(dimethylamino)-N-(2-methoxyethyl)benzamide
SMILESCCCCn1c(N)c(N(CCOC)C(=O)c2cccc(N(C)C)c2)c(=O)[nH]c1=O
InChIInChI=1S/C20H29N5O4/c1-5-6-10-25-17(21)16(18(26)22-20(25)28)24(11-12-29-4)19(27)14-8-7-9-15(13-14)23(2)3/h7-9,13H,5-6,10-12,21H2,1-4H3,(H,22,26,28)
InChIKeyZENRLHDQSCODIW-UHFFFAOYSA-N
XLogP1.28
TPSA113.66 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-(dimethylamino)-N-(2-methoxyethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methoxyethyl)-2,3-dimethylbenzamide
CID 26186076
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methoxyethyl)-1,3-dioxo-2-prop-2-enylisoindole-5-carboxamide
CID 24687056
N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-(2-methoxyethyl)-4-methylbenzamide
CID 4793993
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-bromo-N-ethylbenzamide
CID 7925744
N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-(2-methoxyethyl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 4848554
3-[[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-(2-methoxyethyl)amino]methyl]benzoic acid
CID 122120057
N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-4-ethoxy-3-methoxy-N-(2-methoxyethyl)benzamide
CID 55344791
N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-4-tert-butyl-N-(2-methoxyethyl)benzamide
CID 26291971
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-3,4-difluorobenzamide
CID 30434613
[2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-(2-methoxyethyl)amino]-2-oxoethyl] 3-(difluoromethoxy)benzoate
CID 27879371
N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-(2-methoxyethyl)thiophene-3-carboxamide
CID 39724067
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methoxyethyl)-2-(3-methylphenoxy)propanamide
CID 16550127

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-(dimethylamino)-N-(2-methoxyethyl)benzamide?
The IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-(dimethylamino)-N-(2-methoxyethyl)benzamide (CID 26186064) is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-(dimethylamino)-N-(2-methoxyethyl)benzamide.
What is the SMILES notation for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-(dimethylamino)-N-(2-methoxyethyl)benzamide?
The canonical SMILES for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-(dimethylamino)-N-(2-methoxyethyl)benzamide is CCCCn1c(N)c(N(CCOC)C(=O)c2cccc(N(C)C)c2)c(=O)[nH]c1=O.
What is the InChIKey of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-(dimethylamino)-N-(2-methoxyethyl)benzamide?
The InChIKey is ZENRLHDQSCODIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O4/c1-5-6-10-25-17(21)16(18(26)22-20(25)28)24(11-12-29-4)19(27)14-8-7-9-15(13-14)23(2)3/h7-9,13H,5-6,10-12,21H2,1-4H3,(H,22,26,28).
What are the key properties of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-(dimethylamino)-N-(2-methoxyethyl)benzamide?
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-(dimethylamino)-N-(2-methoxyethyl)benzamide has a molecular weight of 403.48 g/mol, XLogP of 1.28, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-(dimethylamino)-N-(2-methoxyethyl)benzamide is sourced from PubChem (CID 26186064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).