4-(2-fluorophenyl)-2-methyl-6-piperazin-1-yl-3,7a-dihydrothieno[2,3-d]pyrimidine

C17H19FN4S — CID 66756866

IUPAC4-(2-fluorophenyl)-2-methyl-6-piperazin-1-yl-3,7a-dihydrothieno[2,3-d]pyrimidine
SMILESCC1=NC2SC(N3CCNCC3)=CC2=C(c2ccccc2F)N1
InChIInChI=1S/C17H19FN4S/c1-11-20-16(12-4-2-3-5-14(12)18)13-10-15(23-17(13)21-11)22-8-6-19-7-9-22/h2-5,10,17,19H,6-9H2,1H3,(H,20,21)
InChIKeyUSQQOAHXTLDQMA-UHFFFAOYSA-N
MW330.43 g/mol
LogP2.38
Rot. Bonds2

About 4-(2-fluorophenyl)-2-methyl-6-piperazin-1-yl-3,7a-dihydrothieno[2,3-d]pyrimidine

4-(2-fluorophenyl)-2-methyl-6-piperazin-1-yl-3,7a-dihydrothieno[2,3-d]pyrimidine (PubChem CID 66756866) has the molecular formula C17H19FN4S and a molecular weight of 330.43 g/mol. Its IUPAC name is 4-(2-fluorophenyl)-2-methyl-6-piperazin-1-yl-3,7a-dihydrothieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-(2-fluorophenyl)-2-methyl-6-piperazin-1-yl-3,7a-dihydrothieno[2,3-d]pyrimidine
PubChem CID66756866
Molecular FormulaC17H19FN4S
Molecular Weight330.43 g/mol
Exact Mass330.13
IUPAC Name4-(2-fluorophenyl)-2-methyl-6-piperazin-1-yl-3,7a-dihydrothieno[2,3-d]pyrimidine
SMILESCC1=NC2SC(N3CCNCC3)=CC2=C(c2ccccc2F)N1
InChIInChI=1S/C17H19FN4S/c1-11-20-16(12-4-2-3-5-14(12)18)13-10-15(23-17(13)21-11)22-8-6-19-7-9-22/h2-5,10,17,19H,6-9H2,1H3,(H,20,21)
InChIKeyUSQQOAHXTLDQMA-UHFFFAOYSA-N
XLogP2.38
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-Fluorophenyl)-8-methyl-10-thia-2,4,8-triazatricyclo[7.3.0.01,5]dodeca-2,5,11-triene
CID 20134115
6-(2-methylpropyl)-1-[1-[1-(2,4,6-trifluorophenyl)ethyl]piperidin-4-yl]-7aH-thieno[2,3-d]pyrimidin-4-amine
CID 22182421
2-N-[6-[6-(4-fluorophenyl)-7,7a-dihydroimidazo[2,1-b][1,3]thiazol-5-yl]-1,4-dihydropyrimidin-2-yl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 70831741
N-[N'-(4-ethyl-7-propan-2-yl-4,5-dihydrothiepin-2-yl)-N-[1-(4-methylpiperazin-1-yl)pentylidene]carbamimidoyl]-N'-[1-(4-fluorophenyl)ethyl]ethanimidamide
CID 91059678
(Z)-5-[1-[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]ethylideneamino]-2-(1,2-dihydropyridin-6-yl)-3-methylidenepent-4-enenitrile
CID 121280579
2-[4-[1-[(4-Fluorophenyl)methylamino]ethenyl]-1,5-dimethyl-6-methylidenepyrimidin-2-yl]propan-2-amine
CID 137381235
N-[(2,3-difluorophenyl)methyl]-11-thia-1,5,7-triazatricyclo[7.4.0.02,7]trideca-3,5-dien-4-amine
CID 140299884
N'-cyclohexyl-N-[(1Z,4Z)-5-(2-fluorophenyl)-4-[2-[2-(methylamino)ethylamino]ethylsulfanyl]-3-methylidene-5-(methylideneamino)penta-1,4-dienyl]ethanimidamide
CID 143376555
4-[C-[(Z)-4,4-difluorobut-1-enyl]-N-methylcarbonimidoyl]-N-(1-phenylethenyl)-1-[1-[(Z)-prop-1-enyl]sulfanylethenyl]-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-amine
CID 155379799
2-[4-[3-[2,6-bis(4-fluorophenyl)-4H-pyrimidin-3-yl]prop-1-en-2-yl]piperazin-1-yl]-5,6-dihydro-4H-1,3-thiazine
CID 163569304
N-[1-(3-fluorophenyl)-2-(1-methyl-2H-pyridin-4-yl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 164057835
N,3-diethyl-4-(4-fluorophenyl)-3H-1,3-thiazol-3-ium-2-imine
CID 4560284

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenyl)-2-methyl-6-piperazin-1-yl-3,7a-dihydrothieno[2,3-d]pyrimidine?
The IUPAC name of 4-(2-fluorophenyl)-2-methyl-6-piperazin-1-yl-3,7a-dihydrothieno[2,3-d]pyrimidine (CID 66756866) is 4-(2-fluorophenyl)-2-methyl-6-piperazin-1-yl-3,7a-dihydrothieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-(2-fluorophenyl)-2-methyl-6-piperazin-1-yl-3,7a-dihydrothieno[2,3-d]pyrimidine?
The canonical SMILES for 4-(2-fluorophenyl)-2-methyl-6-piperazin-1-yl-3,7a-dihydrothieno[2,3-d]pyrimidine is CC1=NC2SC(N3CCNCC3)=CC2=C(c2ccccc2F)N1.
What is the InChIKey of 4-(2-fluorophenyl)-2-methyl-6-piperazin-1-yl-3,7a-dihydrothieno[2,3-d]pyrimidine?
The InChIKey is USQQOAHXTLDQMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4S/c1-11-20-16(12-4-2-3-5-14(12)18)13-10-15(23-17(13)21-11)22-8-6-19-7-9-22/h2-5,10,17,19H,6-9H2,1H3,(H,20,21).
What are the key properties of 4-(2-fluorophenyl)-2-methyl-6-piperazin-1-yl-3,7a-dihydrothieno[2,3-d]pyrimidine?
4-(2-fluorophenyl)-2-methyl-6-piperazin-1-yl-3,7a-dihydrothieno[2,3-d]pyrimidine has a molecular weight of 330.43 g/mol, XLogP of 2.38, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenyl)-2-methyl-6-piperazin-1-yl-3,7a-dihydrothieno[2,3-d]pyrimidine is sourced from PubChem (CID 66756866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).