N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-2-(2,4-dimethylanilino)acetamide

C22H33N5O3 — CID 9081186

IUPACN-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-2-(2,4-dimethylanilino)acetamide
SMILESCCCCN(C(=O)CNc1ccc(C)cc1C)c1c(N)n(CC(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C22H33N5O3/c1-6-7-10-26(18(28)12-24-17-9-8-15(4)11-16(17)5)19-20(23)27(13-14(2)3)22(30)25-21(19)29/h8-9,11,14,24H,6-7,10,12-13,23H2,1-5H3,(H,25,29,30)
InChIKeyFSVLPZSVQXBSEK-UHFFFAOYSA-N
MW415.54 g/mol
LogP2.64
Rot. Bonds9

About N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-2-(2,4-dimethylanilino)acetamide

N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-2-(2,4-dimethylanilino)acetamide (PubChem CID 9081186) has the molecular formula C22H33N5O3 and a molecular weight of 415.54 g/mol. Its IUPAC name is N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-2-(2,4-dimethylanilino)acetamide.

Molecular Properties

Compound NameN-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-2-(2,4-dimethylanilino)acetamide
PubChem CID9081186
Molecular FormulaC22H33N5O3
Molecular Weight415.54 g/mol
Exact Mass415.26
IUPAC NameN-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-2-(2,4-dimethylanilino)acetamide
SMILESCCCCN(C(=O)CNc1ccc(C)cc1C)c1c(N)n(CC(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C22H33N5O3/c1-6-7-10-26(18(28)12-24-17-9-8-15(4)11-16(17)5)19-20(23)27(13-14(2)3)22(30)25-21(19)29/h8-9,11,14,24H,6-7,10,12-13,23H2,1-5H3,(H,25,29,30)
InChIKeyFSVLPZSVQXBSEK-UHFFFAOYSA-N
XLogP2.64
TPSA113.22 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.54
LogP ≤ 52.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-2-(3-chloro-2-methylanilino)acetamide
CID 4793250
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-2-(4-methylphenoxy)acetamide
CID 26211215
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-butyl-2-(2-methylanilino)acetamide
CID 26416357
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-2-phenylacetamide
CID 4825571
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-2-(2,6-dimethylphenoxy)acetamide
CID 26211241
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-3-(3,5-dimethylphenoxy)propanamide
CID 35562005
(E)-N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-3-(3-methylphenyl)prop-2-enamide
CID 31492505
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-2-[[(1S)-1,2-diphenylethyl]amino]acetamide
CID 41113416
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-2-[[(1R)-1,2-diphenylethyl]amino]acetamide
CID 41113419
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-3-(2-chlorophenyl)propanamide
CID 31492440
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-(azocan-1-ium-1-yl)-N-butylacetamide
CID 8583532
2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methylpropyl)amino]-N-[(2,4-dimethylphenyl)carbamoyl]acetamide
CID 31035777

Frequently Asked Questions

What is the IUPAC name of N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-2-(2,4-dimethylanilino)acetamide?
The IUPAC name of N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-2-(2,4-dimethylanilino)acetamide (CID 9081186) is N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-2-(2,4-dimethylanilino)acetamide.
What is the SMILES notation for N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-2-(2,4-dimethylanilino)acetamide?
The canonical SMILES for N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-2-(2,4-dimethylanilino)acetamide is CCCCN(C(=O)CNc1ccc(C)cc1C)c1c(N)n(CC(C)C)c(=O)[nH]c1=O.
What is the InChIKey of N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-2-(2,4-dimethylanilino)acetamide?
The InChIKey is FSVLPZSVQXBSEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N5O3/c1-6-7-10-26(18(28)12-24-17-9-8-15(4)11-16(17)5)19-20(23)27(13-14(2)3)22(30)25-21(19)29/h8-9,11,14,24H,6-7,10,12-13,23H2,1-5H3,(H,25,29,30).
What are the key properties of N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-2-(2,4-dimethylanilino)acetamide?
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-2-(2,4-dimethylanilino)acetamide has a molecular weight of 415.54 g/mol, XLogP of 2.64, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-2-(2,4-dimethylanilino)acetamide is sourced from PubChem (CID 9081186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).