4-(3,5-dimethylpyrazol-1-yl)-6-ethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidine

C18H17N5S — CID 91965594

IUPAC4-(3,5-dimethylpyrazol-1-yl)-6-ethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidine
SMILESCCc1cc2c(-n3nc(C)cc3C)nc(-c3cccnc3)nc2s1
InChIInChI=1S/C18H17N5S/c1-4-14-9-15-17(23-12(3)8-11(2)22-23)20-16(21-18(15)24-14)13-6-5-7-19-10-13/h5-10H,4H2,1-3H3
InChIKeyJBMAPVMUSPBIPB-UHFFFAOYSA-N
MW335.44 g/mol
LogP4.12
Rot. Bonds3

About 4-(3,5-dimethylpyrazol-1-yl)-6-ethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidine

4-(3,5-dimethylpyrazol-1-yl)-6-ethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidine (PubChem CID 91965594) has the molecular formula C18H17N5S and a molecular weight of 335.44 g/mol. Its IUPAC name is 4-(3,5-dimethylpyrazol-1-yl)-6-ethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-(3,5-dimethylpyrazol-1-yl)-6-ethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidine
PubChem CID91965594
Molecular FormulaC18H17N5S
Molecular Weight335.44 g/mol
Exact Mass335.12
IUPAC Name4-(3,5-dimethylpyrazol-1-yl)-6-ethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidine
SMILESCCc1cc2c(-n3nc(C)cc3C)nc(-c3cccnc3)nc2s1
InChIInChI=1S/C18H17N5S/c1-4-14-9-15-17(23-12(3)8-11(2)22-23)20-16(21-18(15)24-14)13-6-5-7-19-10-13/h5-10H,4H2,1-3H3
InChIKeyJBMAPVMUSPBIPB-UHFFFAOYSA-N
XLogP4.12
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.44
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-(6-ethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)-2,6-dimethylmorpholine
CID 91965364
4-[4-(4-chlorophenyl)piperazin-1-yl]-6-ethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidine
CID 91965383
6-ethyl-4-(3-methylpiperidin-1-yl)-2-pyridin-3-ylthieno[2,3-d]pyrimidine
CID 91965355
6-ethyl-4-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylthieno[2,3-d]pyrimidine
CID 91965386
6-ethyl-4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-ylthieno[2,3-d]pyrimidine
CID 91965387
N-(3,5-dichlorophenyl)-6-ethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine
CID 91965281
2-[(6-ethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol
CID 91965311
4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-6-ethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidine
CID 91965374
2-[(6-ethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)amino]propanoic acid
CID 91965573
4-[4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl]-6-ethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidine
CID 91965375
4,6-dimethyl-2-pyridin-3-ylpyrimidine
CID 55218547
[4-(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-pyridin-3-ylmethanone
CID 39073313

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-6-ethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidine?
The IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-6-ethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidine (CID 91965594) is 4-(3,5-dimethylpyrazol-1-yl)-6-ethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-(3,5-dimethylpyrazol-1-yl)-6-ethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidine?
The canonical SMILES for 4-(3,5-dimethylpyrazol-1-yl)-6-ethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidine is CCc1cc2c(-n3nc(C)cc3C)nc(-c3cccnc3)nc2s1.
What is the InChIKey of 4-(3,5-dimethylpyrazol-1-yl)-6-ethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidine?
The InChIKey is JBMAPVMUSPBIPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5S/c1-4-14-9-15-17(23-12(3)8-11(2)22-23)20-16(21-18(15)24-14)13-6-5-7-19-10-13/h5-10H,4H2,1-3H3.
What are the key properties of 4-(3,5-dimethylpyrazol-1-yl)-6-ethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidine?
4-(3,5-dimethylpyrazol-1-yl)-6-ethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidine has a molecular weight of 335.44 g/mol, XLogP of 4.12, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylpyrazol-1-yl)-6-ethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidine is sourced from PubChem (CID 91965594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).