N-(8-ethyl-9H-carbazol-2-yl)-5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine

C26H19FN4S — CID 21010573

IUPACN-(8-ethyl-9H-carbazol-2-yl)-5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCCc1cccc2c1[nH]c1cc(Nc3ncnc4scc(-c5ccc(F)cc5)c34)ccc12
InChIInChI=1S/C26H19FN4S/c1-2-15-4-3-5-20-19-11-10-18(12-22(19)31-24(15)20)30-25-23-21(13-32-26(23)29-14-28-25)16-6-8-17(27)9-7-16/h3-14,31H,2H2,1H3,(H,28,29,30)
InChIKeyBFBNCTPKLBOEGP-UHFFFAOYSA-N
MW438.53 g/mol
LogP7.44
Rot. Bonds4

About N-(8-ethyl-9H-carbazol-2-yl)-5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine

N-(8-ethyl-9H-carbazol-2-yl)-5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 21010573) has the molecular formula C26H19FN4S and a molecular weight of 438.53 g/mol. Its IUPAC name is N-(8-ethyl-9H-carbazol-2-yl)-5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(8-ethyl-9H-carbazol-2-yl)-5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID21010573
Molecular FormulaC26H19FN4S
Molecular Weight438.53 g/mol
Exact Mass438.13
IUPAC NameN-(8-ethyl-9H-carbazol-2-yl)-5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCCc1cccc2c1[nH]c1cc(Nc3ncnc4scc(-c5ccc(F)cc5)c34)ccc12
InChIInChI=1S/C26H19FN4S/c1-2-15-4-3-5-20-19-11-10-18(12-22(19)31-24(15)20)30-25-23-21(13-32-26(23)29-14-28-25)16-6-8-17(27)9-7-16/h3-14,31H,2H2,1H3,(H,28,29,30)
InChIKeyBFBNCTPKLBOEGP-UHFFFAOYSA-N
XLogP7.44
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.53
LogP ≤ 57.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]-1,3-dihydrobenzimidazol-2-one
CID 9332987
6-ethyl-N-(8-ethyl-9H-carbazol-2-yl)thieno[2,3-d]pyrimidin-4-amine
CID 21010584
methyl 3-[[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]benzoate
CID 20997970
2-[4-[[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]phenyl]acetic acid
CID 21009469
5-(3,4-dimethylphenyl)-N-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine
CID 7673774
[4-[[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]phenyl]arsonic acid
CID 112501307
dimethyl 5-[[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]benzene-1,3-dicarboxylate
CID 21009153
N-[3-[[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]phenyl]acetamide
CID 21011857
N-[(2R)-butan-2-yl]-5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine
CID 92725820
5-(4-fluorophenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]thieno[2,3-d]pyrimidin-4-amine
CID 21011948
5-(4-fluorophenyl)-N-(2-methoxyphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 1194680
N-(3-chloro-4-fluorophenyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 7574829

Frequently Asked Questions

What is the IUPAC name of N-(8-ethyl-9H-carbazol-2-yl)-5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-(8-ethyl-9H-carbazol-2-yl)-5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine (CID 21010573) is N-(8-ethyl-9H-carbazol-2-yl)-5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-(8-ethyl-9H-carbazol-2-yl)-5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-(8-ethyl-9H-carbazol-2-yl)-5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine is CCc1cccc2c1[nH]c1cc(Nc3ncnc4scc(-c5ccc(F)cc5)c34)ccc12.
What is the InChIKey of N-(8-ethyl-9H-carbazol-2-yl)-5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is BFBNCTPKLBOEGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19FN4S/c1-2-15-4-3-5-20-19-11-10-18(12-22(19)31-24(15)20)30-25-23-21(13-32-26(23)29-14-28-25)16-6-8-17(27)9-7-16/h3-14,31H,2H2,1H3,(H,28,29,30).
What are the key properties of N-(8-ethyl-9H-carbazol-2-yl)-5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine?
N-(8-ethyl-9H-carbazol-2-yl)-5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 438.53 g/mol, XLogP of 7.44, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-ethyl-9H-carbazol-2-yl)-5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 21010573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).