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

C30H25FN4S — CID 25160778

IUPACN-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-6-(3-phenylphenyl)thieno[3,2-d]pyrimidin-4-amine
SMILESCc1[nH]c2c(F)ccc(C)c2c1CCNc1ncnc2cc(-c3cccc(-c4ccccc4)c3)sc12
InChIInChI=1S/C30H25FN4S/c1-18-11-12-24(31)28-27(18)23(19(2)35-28)13-14-32-30-29-25(33-17-34-30)16-26(36-29)22-10-6-9-21(15-22)20-7-4-3-5-8-20/h3-12,15-17,35H,13-14H2,1-2H3,(H,32,33,34)
InChIKeyLOLATWFTHMWTKL-UHFFFAOYSA-N
MW492.62 g/mol
LogP7.92
Rot. Bonds6

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

N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-6-(3-phenylphenyl)thieno[3,2-d]pyrimidin-4-amine (PubChem CID 25160778) has the molecular formula C30H25FN4S and a molecular weight of 492.62 g/mol. Its IUPAC name is N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-6-(3-phenylphenyl)thieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-6-(3-phenylphenyl)thieno[3,2-d]pyrimidin-4-amine
PubChem CID25160778
Molecular FormulaC30H25FN4S
Molecular Weight492.62 g/mol
Exact Mass492.18
IUPAC NameN-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-6-(3-phenylphenyl)thieno[3,2-d]pyrimidin-4-amine
SMILESCc1[nH]c2c(F)ccc(C)c2c1CCNc1ncnc2cc(-c3cccc(-c4ccccc4)c3)sc12
InChIInChI=1S/C30H25FN4S/c1-18-11-12-24(31)28-27(18)23(19(2)35-28)13-14-32-30-29-25(33-17-34-30)16-26(36-29)22-10-6-9-21(15-22)20-7-4-3-5-8-20/h3-12,15-17,35H,13-14H2,1-2H3,(H,32,33,34)
InChIKeyLOLATWFTHMWTKL-UHFFFAOYSA-N
XLogP7.92
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.62
LogP ≤ 57.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[4-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethylamino]thieno[3,2-d]pyrimidin-6-yl]phenyl]methanol
CID 25160520
N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-6-(2-methoxypyrimidin-5-yl)thieno[3,2-d]pyrimidin-4-amine
CID 25159460
4-[4-[2-(2,7-dimethyl-1H-indol-3-yl)ethylamino]thieno[3,2-d]pyrimidin-6-yl]benzonitrile
CID 25159853
4-[4-[2-(2,7-dimethyl-1H-indol-3-yl)ethylamino]thieno[3,2-d]pyrimidin-6-yl]-N-methylbenzamide
CID 25159980
N-[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]-N',N'-dimethylethane-1,2-diamine
CID 4782307
6-phenyl-N-(2-pyrrolidin-1-ylethyl)thieno[3,2-d]pyrimidin-4-amine
CID 25165203
N-[3-[4-[2-(1H-indol-3-yl)ethylamino]thieno[3,2-d]pyrimidin-6-yl]phenyl]methanesulfonamide
CID 25159593
N-[(2-methoxyphenyl)methyl]-6-phenylthieno[3,2-d]pyrimidin-4-amine
CID 25164407
3-[4-[2-(4-hydroxyphenyl)ethylamino]thieno[3,2-d]pyrimidin-6-yl]benzoic acid
CID 25164206
6-phenyl-N-(1-phenylethyl)thieno[3,2-d]pyrimidin-4-amine
CID 18382769
N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-2-quinazolin-4-yloxyacetamide
CID 25128264
N-[(6-chloro-2-fluorocyclohexa-1,3-dien-1-yl)methyl]-6-phenylthieno[3,2-d]pyrimidin-4-amine
CID 89208921

Frequently Asked Questions

What is the IUPAC name of N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-6-(3-phenylphenyl)thieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-6-(3-phenylphenyl)thieno[3,2-d]pyrimidin-4-amine (CID 25160778) is N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-6-(3-phenylphenyl)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-(3-phenylphenyl)thieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-6-(3-phenylphenyl)thieno[3,2-d]pyrimidin-4-amine is Cc1[nH]c2c(F)ccc(C)c2c1CCNc1ncnc2cc(-c3cccc(-c4ccccc4)c3)sc12.
What is the InChIKey of N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-6-(3-phenylphenyl)thieno[3,2-d]pyrimidin-4-amine?
The InChIKey is LOLATWFTHMWTKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25FN4S/c1-18-11-12-24(31)28-27(18)23(19(2)35-28)13-14-32-30-29-25(33-17-34-30)16-26(36-29)22-10-6-9-21(15-22)20-7-4-3-5-8-20/h3-12,15-17,35H,13-14H2,1-2H3,(H,32,33,34).
What are the key properties of N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-6-(3-phenylphenyl)thieno[3,2-d]pyrimidin-4-amine?
N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-6-(3-phenylphenyl)thieno[3,2-d]pyrimidin-4-amine has a molecular weight of 492.62 g/mol, XLogP of 7.92, 6 rotatable bonds, 2 hydrogen bond donors, and 4 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-(3-phenylphenyl)thieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 25160778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).