N-(3,4-diethoxyphenyl)-5-(4-fluorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine

C23H22FN3O2S — CID 28505195

IUPACN-(3,4-diethoxyphenyl)-5-(4-fluorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
SMILESCCOc1ccc(Nc2ncnc3sc(C)c(-c4ccc(F)cc4)c23)cc1OCC
InChIInChI=1S/C23H22FN3O2S/c1-4-28-18-11-10-17(12-19(18)29-5-2)27-22-21-20(15-6-8-16(24)9-7-15)14(3)30-23(21)26-13-25-22/h6-13H,4-5H2,1-3H3,(H,25,26,27)
InChIKeyYHBDTXUZWWERAP-UHFFFAOYSA-N
MW423.51 g/mol
LogP6.35
Rot. Bonds7

About N-(3,4-diethoxyphenyl)-5-(4-fluorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine

N-(3,4-diethoxyphenyl)-5-(4-fluorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 28505195) has the molecular formula C23H22FN3O2S and a molecular weight of 423.51 g/mol. Its IUPAC name is N-(3,4-diethoxyphenyl)-5-(4-fluorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(3,4-diethoxyphenyl)-5-(4-fluorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
PubChem CID28505195
Molecular FormulaC23H22FN3O2S
Molecular Weight423.51 g/mol
Exact Mass423.14
IUPAC NameN-(3,4-diethoxyphenyl)-5-(4-fluorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
SMILESCCOc1ccc(Nc2ncnc3sc(C)c(-c4ccc(F)cc4)c23)cc1OCC
InChIInChI=1S/C23H22FN3O2S/c1-4-28-18-11-10-17(12-19(18)29-5-2)27-22-21-20(15-6-8-16(24)9-7-15)14(3)30-23(21)26-13-25-22/h6-13H,4-5H2,1-3H3,(H,25,26,27)
InChIKeyYHBDTXUZWWERAP-UHFFFAOYSA-N
XLogP6.35
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.51
LogP ≤ 56.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3,4-diethoxyphenyl)-5-(4-ethoxyphenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 28505229
N-(3,4-dimethylphenyl)-5-(4-ethoxyphenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 21009720
N-(4-tert-butylphenyl)-5-(4-fluorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 21011069
4-[[5-(4-fluorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-yl]amino]benzoic acid
CID 21012308
5-(4-ethoxyphenyl)-N-(4-methoxy-3-nitrophenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 21010533
1-N-[5-(4-ethoxyphenyl)-6-methylthieno[2,3-d]pyrimidin-4-yl]-4-N,4-N-diethylbenzene-1,4-diamine
CID 21009360
5-(4-chlorophenyl)-N-(3-fluorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 21010083
4-[[5-(4-fluorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-yl]amino]-N-pyrimidin-2-ylbenzenesulfonamide
CID 21011363
5-(4-fluorophenyl)-6-methyl-N-(2-phenoxyphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 28695595
N-(2,6-dichlorophenyl)-5-(4-fluorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 28695559
4-N-[5-(4-ethylphenyl)-6-methylthieno[2,3-d]pyrimidin-4-yl]benzene-1,4-diamine
CID 28852465
N-(5-chloro-2-methylphenyl)-5-(4-fluorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 21009771

Frequently Asked Questions

What is the IUPAC name of N-(3,4-diethoxyphenyl)-5-(4-fluorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-(3,4-diethoxyphenyl)-5-(4-fluorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine (CID 28505195) is N-(3,4-diethoxyphenyl)-5-(4-fluorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-(3,4-diethoxyphenyl)-5-(4-fluorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-(3,4-diethoxyphenyl)-5-(4-fluorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine is CCOc1ccc(Nc2ncnc3sc(C)c(-c4ccc(F)cc4)c23)cc1OCC.
What is the InChIKey of N-(3,4-diethoxyphenyl)-5-(4-fluorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is YHBDTXUZWWERAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN3O2S/c1-4-28-18-11-10-17(12-19(18)29-5-2)27-22-21-20(15-6-8-16(24)9-7-15)14(3)30-23(21)26-13-25-22/h6-13H,4-5H2,1-3H3,(H,25,26,27).
What are the key properties of N-(3,4-diethoxyphenyl)-5-(4-fluorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine?
N-(3,4-diethoxyphenyl)-5-(4-fluorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 423.51 g/mol, XLogP of 6.35, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-diethoxyphenyl)-5-(4-fluorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 28505195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).