4-[[4-(5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole

C23H26N6OS — CID 167904296

IUPAC4-[[4-(5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole
SMILESCc1noc(C)c1CN1CCN(c2nc(-c3cccnc3)nc3sc(C)c(C)c23)CC1
InChIInChI=1S/C23H26N6OS/c1-14-17(4)31-23-20(14)22(25-21(26-23)18-6-5-7-24-12-18)29-10-8-28(9-11-29)13-19-15(2)27-30-16(19)3/h5-7,12H,8-11,13H2,1-4H3
InChIKeyLWWVQKQXXVJZGY-UHFFFAOYSA-N
MW434.57 g/mol
LogP4.30
Rot. Bonds4

About 4-[[4-(5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole

4-[[4-(5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole (PubChem CID 167904296) has the molecular formula C23H26N6OS and a molecular weight of 434.57 g/mol. Its IUPAC name is 4-[[4-(5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name4-[[4-(5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole
PubChem CID167904296
Molecular FormulaC23H26N6OS
Molecular Weight434.57 g/mol
Exact Mass434.19
IUPAC Name4-[[4-(5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole
SMILESCc1noc(C)c1CN1CCN(c2nc(-c3cccnc3)nc3sc(C)c(C)c23)CC1
InChIInChI=1S/C23H26N6OS/c1-14-17(4)31-23-20(14)22(25-21(26-23)18-6-5-7-24-12-18)29-10-8-28(9-11-29)13-19-15(2)27-30-16(19)3/h5-7,12H,8-11,13H2,1-4H3
InChIKeyLWWVQKQXXVJZGY-UHFFFAOYSA-N
XLogP4.30
TPSA71.18 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.57
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4-[[4-(5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole with MolForge

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Related Compounds

4-[[4-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl]methyl]morpholine
CID 43069716
4-(5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)-N,N-dimethylpiperazine-1-sulfonamide
CID 154807100
5-methyl-3-[[4-(10-pyridin-3-yl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)piperazin-1-yl]methyl]-1,2-oxazole
CID 55393748
5-(5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)-2,3,3a,4,6,7-hexahydro-[1,2]thiazolo[2,3-a]pyrazine 1,1-dioxide
CID 166328844
[1-(5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]methylurea
CID 166183799
4-(6-methyl-5-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)morpholine
CID 2547146
5-phenyl-4-(4-propylpiperazin-1-yl)-2-pyridin-3-ylthieno[2,3-d]pyrimidine
CID 9195115
5-[[4-(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)piperazin-1-yl]methyl]-3-(2-methylphenyl)-1,2,4-oxadiazole
CID 133310455
3-methyl-5-[[4-(2-pyridin-3-ylquinazolin-4-yl)piperazin-1-yl]methyl]-1,2-oxazole
CID 51283276
2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-6-methylpyridine-3-carbonitrile
CID 136519023
4-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-5,6-dimethyl-2-(pyrrolidin-1-ylmethyl)thieno[2,3-d]pyrimidine
CID 133274015
5,6-dimethyl-N-(4-methylpiperazin-4-ium-1-yl)-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine
CID 7927705

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole?
The IUPAC name of 4-[[4-(5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole (CID 167904296) is 4-[[4-(5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole.
What is the SMILES notation for 4-[[4-(5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole?
The canonical SMILES for 4-[[4-(5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole is Cc1noc(C)c1CN1CCN(c2nc(-c3cccnc3)nc3sc(C)c(C)c23)CC1.
What is the InChIKey of 4-[[4-(5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole?
The InChIKey is LWWVQKQXXVJZGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6OS/c1-14-17(4)31-23-20(14)22(25-21(26-23)18-6-5-7-24-12-18)29-10-8-28(9-11-29)13-19-15(2)27-30-16(19)3/h5-7,12H,8-11,13H2,1-4H3.
What are the key properties of 4-[[4-(5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole?
4-[[4-(5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole has a molecular weight of 434.57 g/mol, XLogP of 4.30, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 167904296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).