5-(4-fluorophenyl)-6-methyl-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine

C22H20FN5S — CID 1277427

IUPAC5-(4-fluorophenyl)-6-methyl-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine
SMILESCc1sc2ncnc(N3CCN(c4ccccn4)CC3)c2c1-c1ccc(F)cc1
InChIInChI=1S/C22H20FN5S/c1-15-19(16-5-7-17(23)8-6-16)20-21(25-14-26-22(20)29-15)28-12-10-27(11-13-28)18-4-2-3-9-24-18/h2-9,14H,10-13H2,1H3
InChIKeyQYGDHFOIDQZGTP-UHFFFAOYSA-N
MW405.50 g/mol
LogP4.53
Rot. Bonds3

About 5-(4-fluorophenyl)-6-methyl-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine

5-(4-fluorophenyl)-6-methyl-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine (PubChem CID 1277427) has the molecular formula C22H20FN5S and a molecular weight of 405.50 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-6-methyl-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name5-(4-fluorophenyl)-6-methyl-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine
PubChem CID1277427
Molecular FormulaC22H20FN5S
Molecular Weight405.50 g/mol
Exact Mass405.14
IUPAC Name5-(4-fluorophenyl)-6-methyl-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine
SMILESCc1sc2ncnc(N3CCN(c4ccccn4)CC3)c2c1-c1ccc(F)cc1
InChIInChI=1S/C22H20FN5S/c1-15-19(16-5-7-17(23)8-6-16)20-21(25-14-26-22(20)29-15)28-12-10-27(11-13-28)18-4-2-3-9-24-18/h2-9,14H,10-13H2,1H3
InChIKeyQYGDHFOIDQZGTP-UHFFFAOYSA-N
XLogP4.53
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-(4-fluorophenyl)-6-methyl-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine with MolForge

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Related Compounds

4-Benzyl-1-(thieno(2,3-d)pyrimidin-4-yl)piperidine
CID 2100018
2-(4-Chloro-5-phenylthieno(2,3-d)pyrimidin-2-yl)pyridine
CID 2535143
Thienopyrimidine deriv. 82
CID 6540015
Thienopyrimidine deriv. 83
CID 6540016
12-Phenyl-8-thia-3,5,10-triazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,5,10,12-hexaen-6-amine
CID 25190906
4-(4-(5,5-Dimethyl-4,5-dihydrothiazol-2-yl)piperazin-1-yl)-6-propylthieno[2,3-d]pyrimidine
CID 54765302
(2s)-3-Phenyl-N~1~-[2-(Pyridin-4-Yl)-5,6,7,8-Tetrahydro[1]benzothieno[2,3-D]pyrimidin-4-Yl]propane-1,2-Diamine
CID 70702288
7-[7-[4-(4-Methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]thieno[2,3-b]pyrazine
CID 56973462
N,N-diethyl-N'-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]propane-1,3-diamine
CID 1608673
4-(1H-imidazol-1-yl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine
CID 796774
N-(pyridin-3-ylmethyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-amine
CID 941960
N-phenyl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-6-amine
CID 2823823

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-6-methyl-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine?
The IUPAC name of 5-(4-fluorophenyl)-6-methyl-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine (CID 1277427) is 5-(4-fluorophenyl)-6-methyl-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine.
What is the SMILES notation for 5-(4-fluorophenyl)-6-methyl-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine?
The canonical SMILES for 5-(4-fluorophenyl)-6-methyl-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine is Cc1sc2ncnc(N3CCN(c4ccccn4)CC3)c2c1-c1ccc(F)cc1.
What is the InChIKey of 5-(4-fluorophenyl)-6-methyl-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine?
The InChIKey is QYGDHFOIDQZGTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN5S/c1-15-19(16-5-7-17(23)8-6-16)20-21(25-14-26-22(20)29-15)28-12-10-27(11-13-28)18-4-2-3-9-24-18/h2-9,14H,10-13H2,1H3.
What are the key properties of 5-(4-fluorophenyl)-6-methyl-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine?
5-(4-fluorophenyl)-6-methyl-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine has a molecular weight of 405.50 g/mol, XLogP of 4.53, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-6-methyl-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine is sourced from PubChem (CID 1277427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).