N-tert-butyl-2-(5,6-dimethyl-2,4-dioxo-1-pentylthieno[2,3-d]pyrimidin-3-yl)acetamide

C19H29N3O3S — CID 141463465

IUPACN-tert-butyl-2-(5,6-dimethyl-2,4-dioxo-1-pentylthieno[2,3-d]pyrimidin-3-yl)acetamide
SMILESCCCCCn1c(=O)n(CC(=O)NC(C)(C)C)c(=O)c2c(C)c(C)sc21
InChIInChI=1S/C19H29N3O3S/c1-7-8-9-10-21-17-15(12(2)13(3)26-17)16(24)22(18(21)25)11-14(23)20-19(4,5)6/h7-11H2,1-6H3,(H,20,23)
InChIKeyMBNZIKOJNMOKPG-UHFFFAOYSA-N
MW379.53 g/mol
LogP2.95
Rot. Bonds6

About N-tert-butyl-2-(5,6-dimethyl-2,4-dioxo-1-pentylthieno[2,3-d]pyrimidin-3-yl)acetamide

N-tert-butyl-2-(5,6-dimethyl-2,4-dioxo-1-pentylthieno[2,3-d]pyrimidin-3-yl)acetamide (PubChem CID 141463465) has the molecular formula C19H29N3O3S and a molecular weight of 379.53 g/mol. Its IUPAC name is N-tert-butyl-2-(5,6-dimethyl-2,4-dioxo-1-pentylthieno[2,3-d]pyrimidin-3-yl)acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-(5,6-dimethyl-2,4-dioxo-1-pentylthieno[2,3-d]pyrimidin-3-yl)acetamide
PubChem CID141463465
Molecular FormulaC19H29N3O3S
Molecular Weight379.53 g/mol
Exact Mass379.19
IUPAC NameN-tert-butyl-2-(5,6-dimethyl-2,4-dioxo-1-pentylthieno[2,3-d]pyrimidin-3-yl)acetamide
SMILESCCCCCn1c(=O)n(CC(=O)NC(C)(C)C)c(=O)c2c(C)c(C)sc21
InChIInChI=1S/C19H29N3O3S/c1-7-8-9-10-21-17-15(12(2)13(3)26-17)16(24)22(18(21)25)11-14(23)20-19(4,5)6/h7-11H2,1-6H3,(H,20,23)
InChIKeyMBNZIKOJNMOKPG-UHFFFAOYSA-N
XLogP2.95
TPSA73.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.53
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(6-bromo-5-methyl-2,4-dioxo-1-pentylthieno[2,3-d]pyrimidin-3-yl)-N-tert-butylacetamide
CID 141463430
N-butyl-2-[3-(3,4-dimethylphenyl)-5,6-dimethyl-2,4-dioxothieno[2,3-d]pyrimidin-1-yl]acetamide
CID 15996141
2-(3-benzyl-5,6-dimethyl-2,4-dioxothieno[2,3-d]pyrimidin-1-yl)-N-(2-methylphenyl)acetamide
CID 12004818
2-[1-butyl-6-(4-methoxyphenyl)-5-methyl-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]acetic acid
CID 10668812
tert-butyl 5-methyl-2,4-dioxo-3-propyl-1-(3,3,3-trifluoropropyl)thieno[2,3-d]pyrimidine-6-carboxylate
CID 118016351
2-(1-butyl-6-methyl-2,4-dioxothieno[2,3-d]pyrimidin-3-yl)-N-propan-2-ylacetamide
CID 141463416
tert-butyl N-[[1-butyl-5-methyl-3-[(1S,2S)-2-methylcyclopropyl]-2,4-dioxothieno[2,3-d]pyrimidin-6-yl]methylamino]carbamate
CID 134385443
N-butyl-2-(7-methyl-2,4-dioxo-1-pentylthieno[3,2-d]pyrimidin-3-yl)acetamide
CID 141463438
[1-(2-methoxyethyl)-5-methyl-2,4-dioxo-3-propylthieno[2,3-d]pyrimidin-6-yl] hydrogen carbonate
CID 118010974
2-[5,6-dimethyl-2,4-dioxo-3-(2-phenylethyl)thieno[2,3-d]pyrimidin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 15993894
tert-butyl-[[3-ethyl-5-methyl-2,4-dioxo-1-(3,3,3-trifluoropropyl)thieno[2,3-d]pyrimidin-6-yl]methylamino]carbamic acid
CID 122574919
1-(3,3-dimethyl-2-oxobutyl)-3-(4-ethoxyphenyl)-5,6-dimethylthieno[2,3-d]pyrimidine-2,4-dione
CID 15989011

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(5,6-dimethyl-2,4-dioxo-1-pentylthieno[2,3-d]pyrimidin-3-yl)acetamide?
The IUPAC name of N-tert-butyl-2-(5,6-dimethyl-2,4-dioxo-1-pentylthieno[2,3-d]pyrimidin-3-yl)acetamide (CID 141463465) is N-tert-butyl-2-(5,6-dimethyl-2,4-dioxo-1-pentylthieno[2,3-d]pyrimidin-3-yl)acetamide.
What is the SMILES notation for N-tert-butyl-2-(5,6-dimethyl-2,4-dioxo-1-pentylthieno[2,3-d]pyrimidin-3-yl)acetamide?
The canonical SMILES for N-tert-butyl-2-(5,6-dimethyl-2,4-dioxo-1-pentylthieno[2,3-d]pyrimidin-3-yl)acetamide is CCCCCn1c(=O)n(CC(=O)NC(C)(C)C)c(=O)c2c(C)c(C)sc21.
What is the InChIKey of N-tert-butyl-2-(5,6-dimethyl-2,4-dioxo-1-pentylthieno[2,3-d]pyrimidin-3-yl)acetamide?
The InChIKey is MBNZIKOJNMOKPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3S/c1-7-8-9-10-21-17-15(12(2)13(3)26-17)16(24)22(18(21)25)11-14(23)20-19(4,5)6/h7-11H2,1-6H3,(H,20,23).
What are the key properties of N-tert-butyl-2-(5,6-dimethyl-2,4-dioxo-1-pentylthieno[2,3-d]pyrimidin-3-yl)acetamide?
N-tert-butyl-2-(5,6-dimethyl-2,4-dioxo-1-pentylthieno[2,3-d]pyrimidin-3-yl)acetamide has a molecular weight of 379.53 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(5,6-dimethyl-2,4-dioxo-1-pentylthieno[2,3-d]pyrimidin-3-yl)acetamide is sourced from PubChem (CID 141463465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).