[1-[4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carbonyl]piperidin-4-yl]-(4-methylphenyl)methanone

C24H27N3O4S — CID 55956972

IUPAC[1-[4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carbonyl]piperidin-4-yl]-(4-methylphenyl)methanone
SMILESCOCc1nc(OC)c2c(C)c(C(=O)N3CCC(C(=O)c4ccc(C)cc4)CC3)sc2n1
InChIInChI=1S/C24H27N3O4S/c1-14-5-7-16(8-6-14)20(28)17-9-11-27(12-10-17)24(29)21-15(2)19-22(31-4)25-18(13-30-3)26-23(19)32-21/h5-8,17H,9-13H2,1-4H3
InChIKeyXNWUTCVTTYKLQH-UHFFFAOYSA-N
MW453.56 g/mol
LogP4.20
Rot. Bonds6

About [1-[4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carbonyl]piperidin-4-yl]-(4-methylphenyl)methanone

[1-[4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carbonyl]piperidin-4-yl]-(4-methylphenyl)methanone (PubChem CID 55956972) has the molecular formula C24H27N3O4S and a molecular weight of 453.56 g/mol. Its IUPAC name is [1-[4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carbonyl]piperidin-4-yl]-(4-methylphenyl)methanone.

Molecular Properties

Compound Name[1-[4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carbonyl]piperidin-4-yl]-(4-methylphenyl)methanone
PubChem CID55956972
Molecular FormulaC24H27N3O4S
Molecular Weight453.56 g/mol
Exact Mass453.17
IUPAC Name[1-[4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carbonyl]piperidin-4-yl]-(4-methylphenyl)methanone
SMILESCOCc1nc(OC)c2c(C)c(C(=O)N3CCC(C(=O)c4ccc(C)cc4)CC3)sc2n1
InChIInChI=1S/C24H27N3O4S/c1-14-5-7-16(8-6-14)20(28)17-9-11-27(12-10-17)24(29)21-15(2)19-22(31-4)25-18(13-30-3)26-23(19)32-21/h5-8,17H,9-13H2,1-4H3
InChIKeyXNWUTCVTTYKLQH-UHFFFAOYSA-N
XLogP4.20
TPSA81.62 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.56
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[1-[4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carbonyl]piperidin-4-yl]-[4-(2-methylpropyl)phenyl]methanone
CID 55723325
[4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidin-6-yl]-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone
CID 55450489
[3-(aminomethyl)pyrrolidin-1-yl]-[4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidin-6-yl]methanone
CID 119486052
4-methoxy-2-(methoxymethyl)-5-methyl-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 55847583
[4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidin-6-yl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 119541226
[4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidin-6-yl]-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone
CID 55451453
3-cyclohexyl-1-[4-[4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carbonyl]piperazin-1-yl]propan-1-one
CID 55956956
[4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidin-6-yl]-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]methanone
CID 55450762
[4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidin-6-yl]-(6-oxa-9-azaspiro[4.5]decan-9-yl)methanone
CID 139008527
4-methoxy-2-(methoxymethyl)-5-methyl-N-[2-(piperidine-1-carbonyl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 55451515
N-[(1-acetylpyrrolidin-3-yl)methyl]-4-methoxy-2-(methoxymethyl)-N,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 71909813
N-[[1-[4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carbonyl]piperidin-3-yl]methyl]methanesulfonamide
CID 55837322

Frequently Asked Questions

What is the IUPAC name of [1-[4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carbonyl]piperidin-4-yl]-(4-methylphenyl)methanone?
The IUPAC name of [1-[4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carbonyl]piperidin-4-yl]-(4-methylphenyl)methanone (CID 55956972) is [1-[4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carbonyl]piperidin-4-yl]-(4-methylphenyl)methanone.
What is the SMILES notation for [1-[4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carbonyl]piperidin-4-yl]-(4-methylphenyl)methanone?
The canonical SMILES for [1-[4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carbonyl]piperidin-4-yl]-(4-methylphenyl)methanone is COCc1nc(OC)c2c(C)c(C(=O)N3CCC(C(=O)c4ccc(C)cc4)CC3)sc2n1.
What is the InChIKey of [1-[4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carbonyl]piperidin-4-yl]-(4-methylphenyl)methanone?
The InChIKey is XNWUTCVTTYKLQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O4S/c1-14-5-7-16(8-6-14)20(28)17-9-11-27(12-10-17)24(29)21-15(2)19-22(31-4)25-18(13-30-3)26-23(19)32-21/h5-8,17H,9-13H2,1-4H3.
What are the key properties of [1-[4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carbonyl]piperidin-4-yl]-(4-methylphenyl)methanone?
[1-[4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carbonyl]piperidin-4-yl]-(4-methylphenyl)methanone has a molecular weight of 453.56 g/mol, XLogP of 4.20, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carbonyl]piperidin-4-yl]-(4-methylphenyl)methanone is sourced from PubChem (CID 55956972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).