(4-fluorophenyl)-[4-(2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carbonyl)piperazin-1-yl]methanone

C21H21FN4O2S — CID 38389727

IUPAC(4-fluorophenyl)-[4-(2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carbonyl)piperazin-1-yl]methanone
SMILESCc1nc(C)c2c(C)c(C(=O)N3CCN(C(=O)c4ccc(F)cc4)CC3)sc2n1
InChIInChI=1S/C21H21FN4O2S/c1-12-17-13(2)23-14(3)24-19(17)29-18(12)21(28)26-10-8-25(9-11-26)20(27)15-4-6-16(22)7-5-15/h4-7H,8-11H2,1-3H3
InChIKeyMGHAMBIUNHRYGJ-UHFFFAOYSA-N
MW412.49 g/mol
LogP3.35
Rot. Bonds2

About (4-fluorophenyl)-[4-(2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carbonyl)piperazin-1-yl]methanone

(4-fluorophenyl)-[4-(2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carbonyl)piperazin-1-yl]methanone (PubChem CID 38389727) has the molecular formula C21H21FN4O2S and a molecular weight of 412.49 g/mol. Its IUPAC name is (4-fluorophenyl)-[4-(2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carbonyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-[4-(2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carbonyl)piperazin-1-yl]methanone
PubChem CID38389727
Molecular FormulaC21H21FN4O2S
Molecular Weight412.49 g/mol
Exact Mass412.14
IUPAC Name(4-fluorophenyl)-[4-(2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carbonyl)piperazin-1-yl]methanone
SMILESCc1nc(C)c2c(C)c(C(=O)N3CCN(C(=O)c4ccc(F)cc4)CC3)sc2n1
InChIInChI=1S/C21H21FN4O2S/c1-12-17-13(2)23-14(3)24-19(17)29-18(12)21(28)26-10-8-25(9-11-26)20(27)15-4-6-16(22)7-5-15/h4-7H,8-11H2,1-3H3
InChIKeyMGHAMBIUNHRYGJ-UHFFFAOYSA-N
XLogP3.35
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (4-fluorophenyl)-[4-(2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carbonyl)piperazin-1-yl]methanone with MolForge

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Related Compounds

azepan-1-yl-(2,4,5-trimethylthieno[2,3-d]pyrimidin-6-yl)methanone
CID 43043987
[4-(1,3-thiazol-2-yl)piperazin-1-yl]-(2,4,5-trimethylthieno[2,3-d]pyrimidin-6-yl)methanone
CID 43057192
[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-(2,4,5-trimethylthieno[2,3-d]pyrimidin-6-yl)methanone
CID 46549668
(2-tert-butyl-4,5-dimethylthieno[2,3-d]pyrimidin-6-yl)-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methanone
CID 24628478
[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-(2,4,5-trimethylthieno[2,3-d]pyrimidin-6-yl)methanone
CID 43056996
6-[4-(4-fluorophenyl)piperazine-1-carbonyl]-3,5-dimethylthieno[2,3-d]pyrimidin-4-one
CID 51229450
1-[4-[4-(2-cyclopropyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbonyl)piperazin-1-yl]sulfonylphenyl]ethanone
CID 55537367
[4-(4-fluorophenyl)piperazin-1-yl]-[4-[4-(4-methoxyphenyl)piperazin-1-yl]-5-methylthieno[2,3-d]pyrimidin-6-yl]methanone
CID 4643423
[4-(diethylamino)-2,5-dimethylthieno[2,3-d]pyrimidin-6-yl]-(4-phenylpiperazin-1-yl)methanone
CID 3494830
(4-fluorophenyl)-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]methanone
CID 108753221
(2-ethyl-4,5-dimethylthieno[2,3-d]pyrimidin-6-yl)-thiomorpholin-4-ylmethanone
CID 56815920
[4-(4-fluorobenzoyl)-1,4-diazepan-1-yl]-(4-methoxyphenyl)methanone
CID 38472427

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[4-(2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carbonyl)piperazin-1-yl]methanone?
The IUPAC name of (4-fluorophenyl)-[4-(2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carbonyl)piperazin-1-yl]methanone (CID 38389727) is (4-fluorophenyl)-[4-(2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carbonyl)piperazin-1-yl]methanone.
What is the SMILES notation for (4-fluorophenyl)-[4-(2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carbonyl)piperazin-1-yl]methanone?
The canonical SMILES for (4-fluorophenyl)-[4-(2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carbonyl)piperazin-1-yl]methanone is Cc1nc(C)c2c(C)c(C(=O)N3CCN(C(=O)c4ccc(F)cc4)CC3)sc2n1.
What is the InChIKey of (4-fluorophenyl)-[4-(2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carbonyl)piperazin-1-yl]methanone?
The InChIKey is MGHAMBIUNHRYGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O2S/c1-12-17-13(2)23-14(3)24-19(17)29-18(12)21(28)26-10-8-25(9-11-26)20(27)15-4-6-16(22)7-5-15/h4-7H,8-11H2,1-3H3.
What are the key properties of (4-fluorophenyl)-[4-(2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carbonyl)piperazin-1-yl]methanone?
(4-fluorophenyl)-[4-(2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carbonyl)piperazin-1-yl]methanone has a molecular weight of 412.49 g/mol, XLogP of 3.35, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[4-(2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carbonyl)piperazin-1-yl]methanone is sourced from PubChem (CID 38389727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).