2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methylpropyl)amino]-N-[(4-methylphenyl)-thiophen-2-ylmethyl]acetamide

C26H35N5O3S — CID 46582672

IUPAC2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methylpropyl)amino]-N-[(4-methylphenyl)-thiophen-2-ylmethyl]acetamide
SMILESCc1ccc(C(NC(=O)CN(CC(C)C)c2c(N)n(CC(C)C)c(=O)[nH]c2=O)c2cccs2)cc1
InChIInChI=1S/C26H35N5O3S/c1-16(2)13-30(23-24(27)31(14-17(3)4)26(34)29-25(23)33)15-21(32)28-22(20-7-6-12-35-20)19-10-8-18(5)9-11-19/h6-12,16-17,22H,13-15,27H2,1-5H3,(H,28,32)(H,29,33,34)
InChIKeyQKPNAZVSHXPQMM-UHFFFAOYSA-N
MW497.67 g/mol
LogP3.51
Rot. Bonds10

About 2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methylpropyl)amino]-N-[(4-methylphenyl)-thiophen-2-ylmethyl]acetamide

2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methylpropyl)amino]-N-[(4-methylphenyl)-thiophen-2-ylmethyl]acetamide (PubChem CID 46582672) has the molecular formula C26H35N5O3S and a molecular weight of 497.67 g/mol. Its IUPAC name is 2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methylpropyl)amino]-N-[(4-methylphenyl)-thiophen-2-ylmethyl]acetamide.

Molecular Properties

Compound Name2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methylpropyl)amino]-N-[(4-methylphenyl)-thiophen-2-ylmethyl]acetamide
PubChem CID46582672
Molecular FormulaC26H35N5O3S
Molecular Weight497.67 g/mol
Exact Mass497.25
IUPAC Name2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methylpropyl)amino]-N-[(4-methylphenyl)-thiophen-2-ylmethyl]acetamide
SMILESCc1ccc(C(NC(=O)CN(CC(C)C)c2c(N)n(CC(C)C)c(=O)[nH]c2=O)c2cccs2)cc1
InChIInChI=1S/C26H35N5O3S/c1-16(2)13-30(23-24(27)31(14-17(3)4)26(34)29-25(23)33)15-21(32)28-22(20-7-6-12-35-20)19-10-8-18(5)9-11-19/h6-12,16-17,22H,13-15,27H2,1-5H3,(H,28,32)(H,29,33,34)
InChIKeyQKPNAZVSHXPQMM-UHFFFAOYSA-N
XLogP3.51
TPSA113.22 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.67
LogP ≤ 53.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methylpropyl)amino]-N-(4-methylphenyl)acetamide
CID 46594509
2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methylpropyl)amino]-N-[(2,4-dimethylphenyl)carbamoyl]acetamide
CID 31035777
2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methylpropyl)amino]-N-(3-phenylpropyl)acetamide
CID 46594520
2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methylpropyl)amino]-N-(4-cyanophenyl)acetamide
CID 112815851
2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-(2-methylpropyl)amino]-N-[1-(3,4-dimethylphenyl)ethyl]acetamide
CID 55590987
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methylpropyl)-2-thiophen-2-ylacetamide
CID 29298893
2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-butylamino]-N-(1-naphthalen-2-ylethyl)acetamide
CID 55504703
6-amino-5-[(3-fluorophenyl)methyl-(2-methylpropyl)amino]-1-(2-methylpropyl)pyrimidine-2,4-dione
CID 55591309
2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methylpropyl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 46582630
6-amino-1-(2-methylpropyl)-5-[2-methylpropyl-[[4-(trifluoromethyl)phenyl]methyl]amino]pyrimidine-2,4-dione
CID 34200466
6-amino-1-(2-methylpropyl)-5-[2-methylpropyl(pyridin-3-ylmethyl)amino]pyrimidine-2,4-dione
CID 78860414
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methylpropyl)-4-propan-2-ylbenzamide
CID 29299004

Frequently Asked Questions

What is the IUPAC name of 2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methylpropyl)amino]-N-[(4-methylphenyl)-thiophen-2-ylmethyl]acetamide?
The IUPAC name of 2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methylpropyl)amino]-N-[(4-methylphenyl)-thiophen-2-ylmethyl]acetamide (CID 46582672) is 2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methylpropyl)amino]-N-[(4-methylphenyl)-thiophen-2-ylmethyl]acetamide.
What is the SMILES notation for 2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methylpropyl)amino]-N-[(4-methylphenyl)-thiophen-2-ylmethyl]acetamide?
The canonical SMILES for 2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methylpropyl)amino]-N-[(4-methylphenyl)-thiophen-2-ylmethyl]acetamide is Cc1ccc(C(NC(=O)CN(CC(C)C)c2c(N)n(CC(C)C)c(=O)[nH]c2=O)c2cccs2)cc1.
What is the InChIKey of 2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methylpropyl)amino]-N-[(4-methylphenyl)-thiophen-2-ylmethyl]acetamide?
The InChIKey is QKPNAZVSHXPQMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N5O3S/c1-16(2)13-30(23-24(27)31(14-17(3)4)26(34)29-25(23)33)15-21(32)28-22(20-7-6-12-35-20)19-10-8-18(5)9-11-19/h6-12,16-17,22H,13-15,27H2,1-5H3,(H,28,32)(H,29,33,34).
What are the key properties of 2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methylpropyl)amino]-N-[(4-methylphenyl)-thiophen-2-ylmethyl]acetamide?
2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methylpropyl)amino]-N-[(4-methylphenyl)-thiophen-2-ylmethyl]acetamide has a molecular weight of 497.67 g/mol, XLogP of 3.51, 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-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methylpropyl)amino]-N-[(4-methylphenyl)-thiophen-2-ylmethyl]acetamide is sourced from PubChem (CID 46582672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).