[4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidin-6-yl]-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]methanone

C25H32N4O3S — CID 55450762

IUPAC[4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidin-6-yl]-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]methanone
SMILESCOCc1nc(OC)c2c(C)c(C(=O)N3CCN(Cc4ccc(C(C)C)cc4)CC3)sc2n1
InChIInChI=1S/C25H32N4O3S/c1-16(2)19-8-6-18(7-9-19)14-28-10-12-29(13-11-28)25(30)22-17(3)21-23(32-5)26-20(15-31-4)27-24(21)33-22/h6-9,16H,10-15H2,1-5H3
InChIKeyZSSZXWINOBJPCU-UHFFFAOYSA-N
MW468.62 g/mol
LogP4.24
Rot. Bonds7

About [4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidin-6-yl]-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]methanone

[4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidin-6-yl]-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]methanone (PubChem CID 55450762) has the molecular formula C25H32N4O3S and a molecular weight of 468.62 g/mol. Its IUPAC name is [4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidin-6-yl]-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name[4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidin-6-yl]-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]methanone
PubChem CID55450762
Molecular FormulaC25H32N4O3S
Molecular Weight468.62 g/mol
Exact Mass468.22
IUPAC Name[4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidin-6-yl]-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]methanone
SMILESCOCc1nc(OC)c2c(C)c(C(=O)N3CCN(Cc4ccc(C(C)C)cc4)CC3)sc2n1
InChIInChI=1S/C25H32N4O3S/c1-16(2)19-8-6-18(7-9-19)14-28-10-12-29(13-11-28)25(30)22-17(3)21-23(32-5)26-20(15-31-4)27-24(21)33-22/h6-9,16H,10-15H2,1-5H3
InChIKeyZSSZXWINOBJPCU-UHFFFAOYSA-N
XLogP4.24
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.62
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-[4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidin-6-yl]methanone
CID 55718920
[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
[4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidin-6-yl]-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone
CID 55451453
[1-[4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carbonyl]piperidin-4-yl]-(4-methylphenyl)methanone
CID 55956972
3-cyclohexyl-1-[4-[4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carbonyl]piperazin-1-yl]propan-1-one
CID 55956956
N-(1-benzylpyrrolidin-3-yl)-4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
CID 55461644
[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-methylthieno[2,3-d]pyrimidin-6-yl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 119541226
4-methoxy-2-(methoxymethyl)-5-methyl-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 55844007
4-methoxy-2-(methoxymethyl)-5-methyl-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 55970647
[4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidin-6-yl]-(6-oxa-9-azaspiro[4.5]decan-9-yl)methanone
CID 139008527

Frequently Asked Questions

What is the IUPAC name of [4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidin-6-yl]-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]methanone?
The IUPAC name of [4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidin-6-yl]-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]methanone (CID 55450762) is [4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidin-6-yl]-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]methanone.
What is the SMILES notation for [4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidin-6-yl]-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]methanone?
The canonical SMILES for [4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidin-6-yl]-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]methanone is COCc1nc(OC)c2c(C)c(C(=O)N3CCN(Cc4ccc(C(C)C)cc4)CC3)sc2n1.
What is the InChIKey of [4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidin-6-yl]-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]methanone?
The InChIKey is ZSSZXWINOBJPCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O3S/c1-16(2)19-8-6-18(7-9-19)14-28-10-12-29(13-11-28)25(30)22-17(3)21-23(32-5)26-20(15-31-4)27-24(21)33-22/h6-9,16H,10-15H2,1-5H3.
What are the key properties of [4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidin-6-yl]-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]methanone?
[4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidin-6-yl]-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]methanone has a molecular weight of 468.62 g/mol, XLogP of 4.24, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidin-6-yl]-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 55450762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).