N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-[4-methoxy-N-(thiophen-2-ylmethyl)anilino]acetamide

C25H33N5O4S — CID 51110963

IUPACN-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-[4-methoxy-N-(thiophen-2-ylmethyl)anilino]acetamide
SMILESCCCCN(C(=O)CN(Cc1cccs1)c1ccc(OC)cc1)c1c(N)n(CCC)c(=O)[nH]c1=O
InChIInChI=1S/C25H33N5O4S/c1-4-6-14-29(22-23(26)30(13-5-2)25(33)27-24(22)32)21(31)17-28(16-20-8-7-15-35-20)18-9-11-19(34-3)12-10-18/h7-12,15H,4-6,13-14,16-17,26H2,1-3H3,(H,27,32,33)
InChIKeyOITDAMRZZVVRGZ-UHFFFAOYSA-N
MW499.64 g/mol
LogP3.44
Rot. Bonds12

About N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-[4-methoxy-N-(thiophen-2-ylmethyl)anilino]acetamide

N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-[4-methoxy-N-(thiophen-2-ylmethyl)anilino]acetamide (PubChem CID 51110963) has the molecular formula C25H33N5O4S and a molecular weight of 499.64 g/mol. Its IUPAC name is N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-[4-methoxy-N-(thiophen-2-ylmethyl)anilino]acetamide.

Molecular Properties

Compound NameN-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-[4-methoxy-N-(thiophen-2-ylmethyl)anilino]acetamide
PubChem CID51110963
Molecular FormulaC25H33N5O4S
Molecular Weight499.64 g/mol
Exact Mass499.23
IUPAC NameN-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-[4-methoxy-N-(thiophen-2-ylmethyl)anilino]acetamide
SMILESCCCCN(C(=O)CN(Cc1cccs1)c1ccc(OC)cc1)c1c(N)n(CCC)c(=O)[nH]c1=O
InChIInChI=1S/C25H33N5O4S/c1-4-6-14-29(22-23(26)30(13-5-2)25(33)27-24(22)32)21(31)17-28(16-20-8-7-15-35-20)18-9-11-19(34-3)12-10-18/h7-12,15H,4-6,13-14,16-17,26H2,1-3H3,(H,27,32,33)
InChIKeyOITDAMRZZVVRGZ-UHFFFAOYSA-N
XLogP3.44
TPSA113.66 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.64
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

[2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-(2-methoxyethyl)amino]-2-oxoethyl] 2-thiophen-2-ylacetate
CID 18290339
N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-naphthalen-2-yloxyacetamide
CID 16614219
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-[(2-methoxyphenyl)methyl]-4-thiophen-2-ylbutanamide
CID 26206386
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-methyl-3-thiophen-2-ylpropanamide
CID 17411815
[2-[(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-butylamino]-2-oxoethyl] 2-hydroxybenzoate
CID 16540237
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(furan-2-ylmethyl)-4-methoxybenzamide
CID 8917753
[2-[(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-butylamino]-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate
CID 4856558
[2-[(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-butylamino]-2-oxoethyl] 2-ethoxypyridine-3-carboxylate
CID 16524376
[2-[(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-butylamino]-2-oxoethyl] 2-methylpropanoate
CID 7782512
N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-4-chlorobutanamide
CID 2113269
2-[2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-butylamino]-2-oxoethyl]sulfanyl-N-(4-methoxyphenyl)acetamide
CID 24983128
N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylacetamide
CID 16505834

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-[4-methoxy-N-(thiophen-2-ylmethyl)anilino]acetamide?
The IUPAC name of N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-[4-methoxy-N-(thiophen-2-ylmethyl)anilino]acetamide (CID 51110963) is N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-[4-methoxy-N-(thiophen-2-ylmethyl)anilino]acetamide.
What is the SMILES notation for N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-[4-methoxy-N-(thiophen-2-ylmethyl)anilino]acetamide?
The canonical SMILES for N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-[4-methoxy-N-(thiophen-2-ylmethyl)anilino]acetamide is CCCCN(C(=O)CN(Cc1cccs1)c1ccc(OC)cc1)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-[4-methoxy-N-(thiophen-2-ylmethyl)anilino]acetamide?
The InChIKey is OITDAMRZZVVRGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N5O4S/c1-4-6-14-29(22-23(26)30(13-5-2)25(33)27-24(22)32)21(31)17-28(16-20-8-7-15-35-20)18-9-11-19(34-3)12-10-18/h7-12,15H,4-6,13-14,16-17,26H2,1-3H3,(H,27,32,33).
What are the key properties of N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-[4-methoxy-N-(thiophen-2-ylmethyl)anilino]acetamide?
N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-[4-methoxy-N-(thiophen-2-ylmethyl)anilino]acetamide has a molecular weight of 499.64 g/mol, XLogP of 3.44, 12 rotatable bonds, 2 hydrogen bond donors, and 8 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-[4-methoxy-N-(thiophen-2-ylmethyl)anilino]acetamide is sourced from PubChem (CID 51110963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).