N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-[2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]acetamide

C22H33N5O3S — CID 86953435

IUPACN-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-[2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]acetamide
SMILESCCCCN(C(=O)CN1CCCC1c1ccc(C)s1)c1c(N)n(CCC)c(=O)[nH]c1=O
InChIInChI=1S/C22H33N5O3S/c1-4-6-13-26(19-20(23)27(11-5-2)22(30)24-21(19)29)18(28)14-25-12-7-8-16(25)17-10-9-15(3)31-17/h9-10,16H,4-8,11-14,23H2,1-3H3,(H,24,29,30)
InChIKeyZKAXQZGATNREOF-UHFFFAOYSA-N
MW447.61 g/mol
LogP2.87
Rot. Bonds9

About N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-[2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]acetamide

N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-[2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]acetamide (PubChem CID 86953435) has the molecular formula C22H33N5O3S and a molecular weight of 447.61 g/mol. Its IUPAC name is N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-[2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-[2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]acetamide
PubChem CID86953435
Molecular FormulaC22H33N5O3S
Molecular Weight447.61 g/mol
Exact Mass447.23
IUPAC NameN-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-[2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]acetamide
SMILESCCCCN(C(=O)CN1CCCC1c1ccc(C)s1)c1c(N)n(CCC)c(=O)[nH]c1=O
InChIInChI=1S/C22H33N5O3S/c1-4-6-13-26(19-20(23)27(11-5-2)22(30)24-21(19)29)18(28)14-25-12-7-8-16(25)17-10-9-15(3)31-17/h9-10,16H,4-8,11-14,23H2,1-3H3,(H,24,29,30)
InChIKeyZKAXQZGATNREOF-UHFFFAOYSA-N
XLogP2.87
TPSA104.43 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.61
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-N-ethylacetamide
CID 41312497
2-[(3aS,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butylacetamide
CID 2536558
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-N-ethylacetamide
CID 47094457
N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
CID 46820487
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-2-[(2R)-2-methylpiperidin-1-yl]acetamide
CID 2655260
[2-[(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-butylamino]-2-oxoethyl] 1,5-dimethylpyrrole-2-carboxylate
CID 38866104
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-2-(2-ethylpiperidin-1-yl)acetamide
CID 42999301
N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-(2,2-dimethyl-3-oxopiperazin-1-yl)acetamide
CID 56542725
N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-4-chlorobutanamide
CID 2113269
N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide
CID 26262547
[2-[(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-butylamino]-2-oxoethyl] pyrrolidine-1-carbodithioate
CID 7606740
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butylpentanamide
CID 31491993

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-[2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]acetamide?
The IUPAC name of N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-[2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]acetamide (CID 86953435) is N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-[2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-[2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]acetamide?
The canonical SMILES for N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-[2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]acetamide is CCCCN(C(=O)CN1CCCC1c1ccc(C)s1)c1c(N)n(CCC)c(=O)[nH]c1=O.
What is the InChIKey of N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-[2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]acetamide?
The InChIKey is ZKAXQZGATNREOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N5O3S/c1-4-6-13-26(19-20(23)27(11-5-2)22(30)24-21(19)29)18(28)14-25-12-7-8-16(25)17-10-9-15(3)31-17/h9-10,16H,4-8,11-14,23H2,1-3H3,(H,24,29,30).
What are the key properties of N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-[2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]acetamide?
N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-[2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]acetamide has a molecular weight of 447.61 g/mol, XLogP of 2.87, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-[2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]acetamide is sourced from PubChem (CID 86953435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).