N-[2-(7-fluoro-4-methoxy-2-methylindol-1-yl)ethyl]-6-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]pyrimidin-4-amine

C26H24FN5OS — CID 156760079

IUPACN-[2-(7-fluoro-4-methoxy-2-methylindol-1-yl)ethyl]-6-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]pyrimidin-4-amine
SMILESCOc1ccc(F)c2c1cc(C)n2CCNc1cc(-c2ccc(-c3csc(C)n3)cc2)ncn1
InChIInChI=1S/C26H24FN5OS/c1-16-12-20-24(33-3)9-8-21(27)26(20)32(16)11-10-28-25-13-22(29-15-30-25)18-4-6-19(7-5-18)23-14-34-17(2)31-23/h4-9,12-15H,10-11H2,1-3H3,(H,28,29,30)
InChIKeyYRROHOXUIIORRS-UHFFFAOYSA-N
MW473.58 g/mol
LogP6.10
Rot. Bonds7

About N-[2-(7-fluoro-4-methoxy-2-methylindol-1-yl)ethyl]-6-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]pyrimidin-4-amine

N-[2-(7-fluoro-4-methoxy-2-methylindol-1-yl)ethyl]-6-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]pyrimidin-4-amine (PubChem CID 156760079) has the molecular formula C26H24FN5OS and a molecular weight of 473.58 g/mol. Its IUPAC name is N-[2-(7-fluoro-4-methoxy-2-methylindol-1-yl)ethyl]-6-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(7-fluoro-4-methoxy-2-methylindol-1-yl)ethyl]-6-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]pyrimidin-4-amine
PubChem CID156760079
Molecular FormulaC26H24FN5OS
Molecular Weight473.58 g/mol
Exact Mass473.17
IUPAC NameN-[2-(7-fluoro-4-methoxy-2-methylindol-1-yl)ethyl]-6-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]pyrimidin-4-amine
SMILESCOc1ccc(F)c2c1cc(C)n2CCNc1cc(-c2ccc(-c3csc(C)n3)cc2)ncn1
InChIInChI=1S/C26H24FN5OS/c1-16-12-20-24(33-3)9-8-21(27)26(20)32(16)11-10-28-25-13-22(29-15-30-25)18-4-6-19(7-5-18)23-14-34-17(2)31-23/h4-9,12-15H,10-11H2,1-3H3,(H,28,29,30)
InChIKeyYRROHOXUIIORRS-UHFFFAOYSA-N
XLogP6.10
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.58
LogP ≤ 56.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(7-fluoro-4-methoxy-2-methylindol-1-yl)ethyl]-6-quinolin-6-ylpyrimidin-4-amine
CID 135333261
N-[2-(7-fluoro-4-methoxy-2-methylindol-1-yl)ethyl]-6-(1H-indol-5-yl)pyrimidin-4-amine
CID 135333256
N-[2-(7-fluoro-4-methoxy-2-methylindol-1-yl)ethyl]-6-(1-methylindazol-6-yl)pyrimidin-4-amine
CID 135333474
N-[2-(7-fluoro-4-methoxy-2-methylindol-1-yl)ethyl]-6-(2-methyl-1,3-benzoxazol-6-yl)pyrimidin-4-amine
CID 156759916
6-[3-ethoxy-4-[(2-methylpropylamino)methyl]phenyl]-N-[2-(7-fluoro-4-methoxy-2-methylindol-1-yl)ethyl]pyrimidin-4-amine
CID 171991021
2-tert-butyl-4-[6-[2-(7-fluoro-4-methoxy-2-methylindol-1-yl)ethylamino]pyrimidin-4-yl]benzoic acid
CID 156759917
2-[2-ethoxy-4-[6-[2-(7-fluoro-4-methoxy-2-methylindol-1-yl)ethylamino]pyrimidin-4-yl]phenoxy]propanoic acid
CID 156759866
N-[2-(7-fluoro-2,4-dimethylindol-1-yl)ethyl]-6-[4-(1,3-thiazol-4-yl)phenyl]pyrimidin-4-amine
CID 156759935
N-[2-(7-fluoro-4-methoxy-2-methylindol-1-yl)ethyl]-6-[5-(tetrazolidin-5-yl)thiophen-2-yl]pyrimidin-4-amine
CID 171991048
1-[3-ethoxy-5-[6-[2-(7-fluoro-4-methoxy-2-methylindol-1-yl)ethylamino]pyrimidin-4-yl]thiophen-2-yl]ethanone
CID 135333170
4-[6-[2-(7-fluoro-4-methoxy-2-methylindol-1-yl)ethylamino]pyrimidin-4-yl]-2-(2-oxaspiro[3.3]heptan-6-yloxy)benzoic acid
CID 135333504
6-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(7-fluoro-2,4-dimethylindol-1-yl)ethyl]pyrimidin-4-amine
CID 156760110

Frequently Asked Questions

What is the IUPAC name of N-[2-(7-fluoro-4-methoxy-2-methylindol-1-yl)ethyl]-6-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]pyrimidin-4-amine?
The IUPAC name of N-[2-(7-fluoro-4-methoxy-2-methylindol-1-yl)ethyl]-6-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]pyrimidin-4-amine (CID 156760079) is N-[2-(7-fluoro-4-methoxy-2-methylindol-1-yl)ethyl]-6-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]pyrimidin-4-amine.
What is the SMILES notation for N-[2-(7-fluoro-4-methoxy-2-methylindol-1-yl)ethyl]-6-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]pyrimidin-4-amine?
The canonical SMILES for N-[2-(7-fluoro-4-methoxy-2-methylindol-1-yl)ethyl]-6-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]pyrimidin-4-amine is COc1ccc(F)c2c1cc(C)n2CCNc1cc(-c2ccc(-c3csc(C)n3)cc2)ncn1.
What is the InChIKey of N-[2-(7-fluoro-4-methoxy-2-methylindol-1-yl)ethyl]-6-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]pyrimidin-4-amine?
The InChIKey is YRROHOXUIIORRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FN5OS/c1-16-12-20-24(33-3)9-8-21(27)26(20)32(16)11-10-28-25-13-22(29-15-30-25)18-4-6-19(7-5-18)23-14-34-17(2)31-23/h4-9,12-15H,10-11H2,1-3H3,(H,28,29,30).
What are the key properties of N-[2-(7-fluoro-4-methoxy-2-methylindol-1-yl)ethyl]-6-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]pyrimidin-4-amine?
N-[2-(7-fluoro-4-methoxy-2-methylindol-1-yl)ethyl]-6-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]pyrimidin-4-amine has a molecular weight of 473.58 g/mol, XLogP of 6.10, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(7-fluoro-4-methoxy-2-methylindol-1-yl)ethyl]-6-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]pyrimidin-4-amine is sourced from PubChem (CID 156760079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).