N-[2-(2,4-dimethylindol-1-yl)ethyl]-6-(4-ethoxythiophen-2-yl)pyrimidin-4-amine

C22H24N4OS — CID 135333449

IUPACN-[2-(2,4-dimethylindol-1-yl)ethyl]-6-(4-ethoxythiophen-2-yl)pyrimidin-4-amine
SMILESCCOc1csc(-c2cc(NCCn3c(C)cc4c(C)cccc43)ncn2)c1
InChIInChI=1S/C22H24N4OS/c1-4-27-17-11-21(28-13-17)19-12-22(25-14-24-19)23-8-9-26-16(3)10-18-15(2)6-5-7-20(18)26/h5-7,10-14H,4,8-9H2,1-3H3,(H,23,24,25)
InChIKeyXWTZERMDHTTYHG-UHFFFAOYSA-N
MW392.53 g/mol
LogP5.29
Rot. Bonds7

About N-[2-(2,4-dimethylindol-1-yl)ethyl]-6-(4-ethoxythiophen-2-yl)pyrimidin-4-amine

N-[2-(2,4-dimethylindol-1-yl)ethyl]-6-(4-ethoxythiophen-2-yl)pyrimidin-4-amine (PubChem CID 135333449) has the molecular formula C22H24N4OS and a molecular weight of 392.53 g/mol. Its IUPAC name is N-[2-(2,4-dimethylindol-1-yl)ethyl]-6-(4-ethoxythiophen-2-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(2,4-dimethylindol-1-yl)ethyl]-6-(4-ethoxythiophen-2-yl)pyrimidin-4-amine
PubChem CID135333449
Molecular FormulaC22H24N4OS
Molecular Weight392.53 g/mol
Exact Mass392.17
IUPAC NameN-[2-(2,4-dimethylindol-1-yl)ethyl]-6-(4-ethoxythiophen-2-yl)pyrimidin-4-amine
SMILESCCOc1csc(-c2cc(NCCn3c(C)cc4c(C)cccc43)ncn2)c1
InChIInChI=1S/C22H24N4OS/c1-4-27-17-11-21(28-13-17)19-12-22(25-14-24-19)23-8-9-26-16(3)10-18-15(2)6-5-7-20(18)26/h5-7,10-14H,4,8-9H2,1-3H3,(H,23,24,25)
InChIKeyXWTZERMDHTTYHG-UHFFFAOYSA-N
XLogP5.29
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.53
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-[[6-(4-ethoxythiophen-2-yl)pyrimidin-4-yl]amino]ethyl]-6-fluoro-4-methylindole-2-carbonitrile
CID 175760389
4,6-dichloro-1-[2-[[6-(4-ethoxythiophen-2-yl)pyrimidin-4-yl]amino]ethyl]indole-2-carbonitrile
CID 175760380
N-[2-(4-bromo-2-methylphenyl)ethyl]-6-(4-ethoxythiophen-2-yl)pyrimidin-4-amine
CID 175922417
6-(4-ethoxythiophen-2-yl)-N-[2-(4-fluorophenyl)ethyl]pyrimidin-4-amine
CID 175922408
4-[6-[2-(2,4-dimethylindol-1-yl)ethylamino]pyrimidin-4-yl]-2-(2-methylpropyl)benzoic acid
CID 135333352
N-[2-(2,5-dimethoxyphenyl)ethyl]-6-(4-ethoxythiophen-2-yl)pyrimidin-4-amine
CID 146624200
N-[2-(2-ethoxy-4-fluorophenyl)ethyl]-6-(4-ethoxythiophen-2-yl)pyrimidin-4-amine
CID 175922419
2-chloro-6-ethoxy-4-[6-[2-(4-methoxy-2-methylindol-1-yl)ethylamino]pyrimidin-4-yl]benzoic acid
CID 135334105
6-(4-ethoxythiophen-2-yl)-N-[2-(1H-indol-6-yl)ethyl]pyrimidin-4-amine
CID 175954499
5-[6-[2-(2-methylindol-1-yl)ethylamino]pyrimidin-4-yl]thiophene-2-carbonitrile
CID 135333318
N-[2-(5-chloro-7-methoxy-2-methyl-1-benzofuran-3-yl)ethyl]-6-(4-ethoxythiophen-2-yl)pyrimidin-4-amine
CID 175793430
N-[2-(7-fluoro-2,4-dimethylindol-1-yl)ethyl]-6-[4-(1,3-thiazol-4-yl)phenyl]pyrimidin-4-amine
CID 156759935

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dimethylindol-1-yl)ethyl]-6-(4-ethoxythiophen-2-yl)pyrimidin-4-amine?
The IUPAC name of N-[2-(2,4-dimethylindol-1-yl)ethyl]-6-(4-ethoxythiophen-2-yl)pyrimidin-4-amine (CID 135333449) is N-[2-(2,4-dimethylindol-1-yl)ethyl]-6-(4-ethoxythiophen-2-yl)pyrimidin-4-amine.
What is the SMILES notation for N-[2-(2,4-dimethylindol-1-yl)ethyl]-6-(4-ethoxythiophen-2-yl)pyrimidin-4-amine?
The canonical SMILES for N-[2-(2,4-dimethylindol-1-yl)ethyl]-6-(4-ethoxythiophen-2-yl)pyrimidin-4-amine is CCOc1csc(-c2cc(NCCn3c(C)cc4c(C)cccc43)ncn2)c1.
What is the InChIKey of N-[2-(2,4-dimethylindol-1-yl)ethyl]-6-(4-ethoxythiophen-2-yl)pyrimidin-4-amine?
The InChIKey is XWTZERMDHTTYHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4OS/c1-4-27-17-11-21(28-13-17)19-12-22(25-14-24-19)23-8-9-26-16(3)10-18-15(2)6-5-7-20(18)26/h5-7,10-14H,4,8-9H2,1-3H3,(H,23,24,25).
What are the key properties of N-[2-(2,4-dimethylindol-1-yl)ethyl]-6-(4-ethoxythiophen-2-yl)pyrimidin-4-amine?
N-[2-(2,4-dimethylindol-1-yl)ethyl]-6-(4-ethoxythiophen-2-yl)pyrimidin-4-amine has a molecular weight of 392.53 g/mol, XLogP of 5.29, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dimethylindol-1-yl)ethyl]-6-(4-ethoxythiophen-2-yl)pyrimidin-4-amine is sourced from PubChem (CID 135333449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).