2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-(2-methoxyethyl)amino]-N-(3,5-dimethylphenyl)acetamide

C21H31N5O4 — CID 46508847

IUPAC2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-(2-methoxyethyl)amino]-N-(3,5-dimethylphenyl)acetamide
SMILESCCCCn1c(N)c(N(CCOC)CC(=O)Nc2cc(C)cc(C)c2)c(=O)[nH]c1=O
InChIInChI=1S/C21H31N5O4/c1-5-6-7-26-19(22)18(20(28)24-21(26)29)25(8-9-30-4)13-17(27)23-16-11-14(2)10-15(3)12-16/h10-12H,5-9,13,22H2,1-4H3,(H,23,27)(H,24,28,29)
InChIKeyHBZVOGOARLQKOQ-UHFFFAOYSA-N
MW417.51 g/mol
LogP1.63
Rot. Bonds10

About 2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-(2-methoxyethyl)amino]-N-(3,5-dimethylphenyl)acetamide

2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-(2-methoxyethyl)amino]-N-(3,5-dimethylphenyl)acetamide (PubChem CID 46508847) has the molecular formula C21H31N5O4 and a molecular weight of 417.51 g/mol. Its IUPAC name is 2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-(2-methoxyethyl)amino]-N-(3,5-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-(2-methoxyethyl)amino]-N-(3,5-dimethylphenyl)acetamide
PubChem CID46508847
Molecular FormulaC21H31N5O4
Molecular Weight417.51 g/mol
Exact Mass417.24
IUPAC Name2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-(2-methoxyethyl)amino]-N-(3,5-dimethylphenyl)acetamide
SMILESCCCCn1c(N)c(N(CCOC)CC(=O)Nc2cc(C)cc(C)c2)c(=O)[nH]c1=O
InChIInChI=1S/C21H31N5O4/c1-5-6-7-26-19(22)18(20(28)24-21(26)29)25(8-9-30-4)13-17(27)23-16-11-14(2)10-15(3)12-16/h10-12H,5-9,13,22H2,1-4H3,(H,23,27)(H,24,28,29)
InChIKeyHBZVOGOARLQKOQ-UHFFFAOYSA-N
XLogP1.63
TPSA122.45 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-(2-methoxyethyl)amino]-N-(3,5-dimethylphenyl)acetamide with MolForge

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Related Compounds

2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-N-(3,5-difluorophenyl)acetamide
CID 18136988
2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-(2-methoxyethyl)amino]-N-(2-methyl-1-phenylpropyl)acetamide
CID 55504769
2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-(2-methoxyethyl)amino]-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide
CID 55504566
3-[[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-(2-methoxyethyl)amino]methyl]benzoic acid
CID 122120057
2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-(2-methoxyethyl)amino]-N-(4-phenylphenyl)acetamide
CID 55534656
2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-N-(3-fluorophenyl)acetamide
CID 18136953
2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-(2-methylpropyl)amino]-N-(3,4-difluorophenyl)acetamide
CID 34657636
2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-N-(2,3-dihydro-1H-inden-5-yl)acetamide
CID 29467605
2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-(3-methoxypropyl)amino]-N-(3-chloro-4-methylphenyl)acetamide
CID 31035231
2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-benzylamino]-N-(2-chloro-4-methylphenyl)acetamide
CID 34651452
1-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-cyclopropyl-1-(2-methoxyethyl)thiourea
CID 9093449
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methoxyethyl)-2,3-dimethylbenzamide
CID 26186076

Frequently Asked Questions

What is the IUPAC name of 2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-(2-methoxyethyl)amino]-N-(3,5-dimethylphenyl)acetamide?
The IUPAC name of 2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-(2-methoxyethyl)amino]-N-(3,5-dimethylphenyl)acetamide (CID 46508847) is 2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-(2-methoxyethyl)amino]-N-(3,5-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-(2-methoxyethyl)amino]-N-(3,5-dimethylphenyl)acetamide?
The canonical SMILES for 2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-(2-methoxyethyl)amino]-N-(3,5-dimethylphenyl)acetamide is CCCCn1c(N)c(N(CCOC)CC(=O)Nc2cc(C)cc(C)c2)c(=O)[nH]c1=O.
What is the InChIKey of 2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-(2-methoxyethyl)amino]-N-(3,5-dimethylphenyl)acetamide?
The InChIKey is HBZVOGOARLQKOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N5O4/c1-5-6-7-26-19(22)18(20(28)24-21(26)29)25(8-9-30-4)13-17(27)23-16-11-14(2)10-15(3)12-16/h10-12H,5-9,13,22H2,1-4H3,(H,23,27)(H,24,28,29).
What are the key properties of 2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-(2-methoxyethyl)amino]-N-(3,5-dimethylphenyl)acetamide?
2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-(2-methoxyethyl)amino]-N-(3,5-dimethylphenyl)acetamide has a molecular weight of 417.51 g/mol, XLogP of 1.63, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-(2-methoxyethyl)amino]-N-(3,5-dimethylphenyl)acetamide is sourced from PubChem (CID 46508847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).