3,5-dimethyl-4-oxo-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)thieno[2,3-d]pyrimidine-6-carboxamide

C19H25N3O2S — CID 71901626

IUPAC3,5-dimethyl-4-oxo-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1c(C(=O)NC2CC3CCC2(C)C3(C)C)sc2ncn(C)c(=O)c12
InChIInChI=1S/C19H25N3O2S/c1-10-13-16(20-9-22(5)17(13)24)25-14(10)15(23)21-12-8-11-6-7-19(12,4)18(11,2)3/h9,11-12H,6-8H2,1-5H3,(H,21,23)
InChIKeyWEQUIRFBFCTAKF-UHFFFAOYSA-N
MW359.50 g/mol
LogP3.25
Rot. Bonds2

About 3,5-dimethyl-4-oxo-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)thieno[2,3-d]pyrimidine-6-carboxamide

3,5-dimethyl-4-oxo-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)thieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 71901626) has the molecular formula C19H25N3O2S and a molecular weight of 359.50 g/mol. Its IUPAC name is 3,5-dimethyl-4-oxo-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)thieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name3,5-dimethyl-4-oxo-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)thieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID71901626
Molecular FormulaC19H25N3O2S
Molecular Weight359.50 g/mol
Exact Mass359.17
IUPAC Name3,5-dimethyl-4-oxo-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1c(C(=O)NC2CC3CCC2(C)C3(C)C)sc2ncn(C)c(=O)c12
InChIInChI=1S/C19H25N3O2S/c1-10-13-16(20-9-22(5)17(13)24)25-14(10)15(23)21-12-8-11-6-7-19(12,4)18(11,2)3/h9,11-12H,6-8H2,1-5H3,(H,21,23)
InChIKeyWEQUIRFBFCTAKF-UHFFFAOYSA-N
XLogP3.25
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.50
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-2-oxo-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-6-thia-1,8-diazatricyclo[7.5.0.03,7]tetradeca-3(7),4,8-triene-5-carboxamide
CID 112763472
3,5-dimethyl-4-oxo-N-[(1S,2S)-2-propan-2-ylcyclohexyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 100671445
N-(2-cyclohexylethyl)-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 53498116
5-oxo-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 78793742
3,5-dimethyl-4-oxo-N-(1-phenylcyclobutyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 51273228
3,5-dimethyl-N-(5-methyl-2-pyridinyl)-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 18106835
1,3-dimethyl-2,4-dioxo-N-[(1S,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]pyrido[2,3-d]pyrimidine-6-carboxamide
CID 100842725
6-[(1S,5R)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl]-3,5-dimethylthieno[2,3-d]pyrimidin-4-one
CID 46987280
N-(1-benzylpiperidin-4-yl)-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 15999563
6-(3,5-dimethylpiperidine-1-carbonyl)-3,5-dimethylthieno[2,3-d]pyrimidin-4-one
CID 4085132
3,5-dimethyl-4-oxo-N-(9H-xanthen-9-yl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 56547416
[2-(cyclopropylamino)-2-oxo-1-phenylethyl] 3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate
CID 55424379

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-oxo-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)thieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 3,5-dimethyl-4-oxo-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)thieno[2,3-d]pyrimidine-6-carboxamide (CID 71901626) is 3,5-dimethyl-4-oxo-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)thieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 3,5-dimethyl-4-oxo-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)thieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 3,5-dimethyl-4-oxo-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)thieno[2,3-d]pyrimidine-6-carboxamide is Cc1c(C(=O)NC2CC3CCC2(C)C3(C)C)sc2ncn(C)c(=O)c12.
What is the InChIKey of 3,5-dimethyl-4-oxo-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)thieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is WEQUIRFBFCTAKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2S/c1-10-13-16(20-9-22(5)17(13)24)25-14(10)15(23)21-12-8-11-6-7-19(12,4)18(11,2)3/h9,11-12H,6-8H2,1-5H3,(H,21,23).
What are the key properties of 3,5-dimethyl-4-oxo-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)thieno[2,3-d]pyrimidine-6-carboxamide?
3,5-dimethyl-4-oxo-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)thieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 359.50 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-oxo-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)thieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 71901626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).