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

C27H33N3O4S — CID 55723325

IUPAC[1-[4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carbonyl]piperidin-4-yl]-[4-(2-methylpropyl)phenyl]methanone
SMILESCOCc1nc(OC)c2c(C)c(C(=O)N3CCC(C(=O)c4ccc(CC(C)C)cc4)CC3)sc2n1
InChIInChI=1S/C27H33N3O4S/c1-16(2)14-18-6-8-19(9-7-18)23(31)20-10-12-30(13-11-20)27(32)24-17(3)22-25(34-5)28-21(15-33-4)29-26(22)35-24/h6-9,16,20H,10-15H2,1-5H3
InChIKeyKFUPVAMTOUBDSS-UHFFFAOYSA-N
MW495.65 g/mol
LogP5.09
Rot. Bonds8

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

[1-[4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carbonyl]piperidin-4-yl]-[4-(2-methylpropyl)phenyl]methanone (PubChem CID 55723325) has the molecular formula C27H33N3O4S and a molecular weight of 495.65 g/mol. Its IUPAC name is [1-[4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carbonyl]piperidin-4-yl]-[4-(2-methylpropyl)phenyl]methanone.

Molecular Properties

Compound Name[1-[4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carbonyl]piperidin-4-yl]-[4-(2-methylpropyl)phenyl]methanone
PubChem CID55723325
Molecular FormulaC27H33N3O4S
Molecular Weight495.65 g/mol
Exact Mass495.22
IUPAC Name[1-[4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carbonyl]piperidin-4-yl]-[4-(2-methylpropyl)phenyl]methanone
SMILESCOCc1nc(OC)c2c(C)c(C(=O)N3CCC(C(=O)c4ccc(CC(C)C)cc4)CC3)sc2n1
InChIInChI=1S/C27H33N3O4S/c1-16(2)14-18-6-8-19(9-7-18)23(31)20-10-12-30(13-11-20)27(32)24-17(3)22-25(34-5)28-21(15-33-4)29-26(22)35-24/h6-9,16,20H,10-15H2,1-5H3
InChIKeyKFUPVAMTOUBDSS-UHFFFAOYSA-N
XLogP5.09
TPSA81.62 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.65
LogP ≤ 55.09
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-methylphenyl)methanone
CID 55956972
[4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidin-6-yl]-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]methanone
CID 55450762
[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-methylphenyl)sulfonylpiperazin-1-yl]methanone
CID 55450489
[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-(2-methylpropyl)phenyl]methanone?
The IUPAC name of [1-[4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carbonyl]piperidin-4-yl]-[4-(2-methylpropyl)phenyl]methanone (CID 55723325) is [1-[4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carbonyl]piperidin-4-yl]-[4-(2-methylpropyl)phenyl]methanone.
What is the SMILES notation for [1-[4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carbonyl]piperidin-4-yl]-[4-(2-methylpropyl)phenyl]methanone?
The canonical SMILES for [1-[4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carbonyl]piperidin-4-yl]-[4-(2-methylpropyl)phenyl]methanone is COCc1nc(OC)c2c(C)c(C(=O)N3CCC(C(=O)c4ccc(CC(C)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-(2-methylpropyl)phenyl]methanone?
The InChIKey is KFUPVAMTOUBDSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N3O4S/c1-16(2)14-18-6-8-19(9-7-18)23(31)20-10-12-30(13-11-20)27(32)24-17(3)22-25(34-5)28-21(15-33-4)29-26(22)35-24/h6-9,16,20H,10-15H2,1-5H3.
What are the key properties of [1-[4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carbonyl]piperidin-4-yl]-[4-(2-methylpropyl)phenyl]methanone?
[1-[4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carbonyl]piperidin-4-yl]-[4-(2-methylpropyl)phenyl]methanone has a molecular weight of 495.65 g/mol, XLogP of 5.09, 8 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-(2-methylpropyl)phenyl]methanone is sourced from PubChem (CID 55723325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).