N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-6-(5-methylfuran-2-yl)thieno[3,2-d]pyrimidin-4-amine

C23H21FN4OS — CID 25161160

IUPACN-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-6-(5-methylfuran-2-yl)thieno[3,2-d]pyrimidin-4-amine
SMILESCc1ccc(-c2cc3ncnc(NCCc4c(C)[nH]c5c(F)ccc(C)c45)c3s2)o1
InChIInChI=1S/C23H21FN4OS/c1-12-4-6-16(24)21-20(12)15(14(3)28-21)8-9-25-23-22-17(26-11-27-23)10-19(30-22)18-7-5-13(2)29-18/h4-7,10-11,28H,8-9H2,1-3H3,(H,25,26,27)
InChIKeyOTCSOVJCBHZLTI-UHFFFAOYSA-N
MW420.51 g/mol
LogP6.15
Rot. Bonds5

About N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-6-(5-methylfuran-2-yl)thieno[3,2-d]pyrimidin-4-amine

N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-6-(5-methylfuran-2-yl)thieno[3,2-d]pyrimidin-4-amine (PubChem CID 25161160) has the molecular formula C23H21FN4OS and a molecular weight of 420.51 g/mol. Its IUPAC name is N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-6-(5-methylfuran-2-yl)thieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-6-(5-methylfuran-2-yl)thieno[3,2-d]pyrimidin-4-amine
PubChem CID25161160
Molecular FormulaC23H21FN4OS
Molecular Weight420.51 g/mol
Exact Mass420.14
IUPAC NameN-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-6-(5-methylfuran-2-yl)thieno[3,2-d]pyrimidin-4-amine
SMILESCc1ccc(-c2cc3ncnc(NCCc4c(C)[nH]c5c(F)ccc(C)c45)c3s2)o1
InChIInChI=1S/C23H21FN4OS/c1-12-4-6-16(24)21-20(12)15(14(3)28-21)8-9-25-23-22-17(26-11-27-23)10-19(30-22)18-7-5-13(2)29-18/h4-7,10-11,28H,8-9H2,1-3H3,(H,25,26,27)
InChIKeyOTCSOVJCBHZLTI-UHFFFAOYSA-N
XLogP6.15
TPSA66.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.51
LogP ≤ 56.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-6-(5-methylfuran-2-yl)thieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-6-(5-methylfuran-2-yl)thieno[3,2-d]pyrimidin-4-amine (CID 25161160) is N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-6-(5-methylfuran-2-yl)thieno[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-6-(5-methylfuran-2-yl)thieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-6-(5-methylfuran-2-yl)thieno[3,2-d]pyrimidin-4-amine is Cc1ccc(-c2cc3ncnc(NCCc4c(C)[nH]c5c(F)ccc(C)c45)c3s2)o1.
What is the InChIKey of N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-6-(5-methylfuran-2-yl)thieno[3,2-d]pyrimidin-4-amine?
The InChIKey is OTCSOVJCBHZLTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN4OS/c1-12-4-6-16(24)21-20(12)15(14(3)28-21)8-9-25-23-22-17(26-11-27-23)10-19(30-22)18-7-5-13(2)29-18/h4-7,10-11,28H,8-9H2,1-3H3,(H,25,26,27).
What are the key properties of N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-6-(5-methylfuran-2-yl)thieno[3,2-d]pyrimidin-4-amine?
N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-6-(5-methylfuran-2-yl)thieno[3,2-d]pyrimidin-4-amine has a molecular weight of 420.51 g/mol, XLogP of 6.15, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-6-(5-methylfuran-2-yl)thieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 25161160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).