6-(2,3-dihydroindol-1-yl)-2-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine

C23H19FN6S — CID 91455202

IUPAC6-(2,3-dihydroindol-1-yl)-2-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine
SMILESNc1cc(N2CCc3ccccc32)nc(Nc2ccc(Sc3ccncc3)c(F)c2)n1
InChIInChI=1S/C23H19FN6S/c24-18-13-16(5-6-20(18)31-17-7-10-26-11-8-17)27-23-28-21(25)14-22(29-23)30-12-9-15-3-1-2-4-19(15)30/h1-8,10-11,13-14H,9,12H2,(H3,25,27,28,29)
InChIKeyXWVUTTRCINGFAO-UHFFFAOYSA-N
MW430.51 g/mol
LogP5.18
Rot. Bonds5

About 6-(2,3-dihydroindol-1-yl)-2-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine

6-(2,3-dihydroindol-1-yl)-2-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine (PubChem CID 91455202) has the molecular formula C23H19FN6S and a molecular weight of 430.51 g/mol. Its IUPAC name is 6-(2,3-dihydroindol-1-yl)-2-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-(2,3-dihydroindol-1-yl)-2-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine
PubChem CID91455202
Molecular FormulaC23H19FN6S
Molecular Weight430.51 g/mol
Exact Mass430.14
IUPAC Name6-(2,3-dihydroindol-1-yl)-2-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine
SMILESNc1cc(N2CCc3ccccc32)nc(Nc2ccc(Sc3ccncc3)c(F)c2)n1
InChIInChI=1S/C23H19FN6S/c24-18-13-16(5-6-20(18)31-17-7-10-26-11-8-17)27-23-28-21(25)14-22(29-23)30-12-9-15-3-1-2-4-19(15)30/h1-8,10-11,13-14H,9,12H2,(H3,25,27,28,29)
InChIKeyXWVUTTRCINGFAO-UHFFFAOYSA-N
XLogP5.18
TPSA79.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.51
LogP ≤ 55.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-(2,3-dihydroindol-1-yl)-2-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine with MolForge

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Related Compounds

7-(4-fluorophenyl)-N-(2-methylphenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 3257208
4-N-(2,3-dimethylindazol-6-yl)-4-N-methyl-2-N-(4-methylsulfanylphenyl)pyrimidine-2,4-diamine
CID 54672932
N-[4-(4-aminophenyl)sulfanylphenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 166464577
N-[4-[2-(diethylamino)ethylsulfanyl]phenyl]-4-pyridin-4-ylpyrimidin-2-amine
CID 15653033
2-N-benzyl-4-N-(2-pyridin-4-ylethyl)thieno[3,2-d]pyrimidine-2,4-diamine
CID 49778125
N4-[3-(dimethylamino)propyl]-N2-methyl-6-[6-(trifluoromethyl)-3-pyridyl]thieno[3,2-d]pyrimidine-2,4-diamine
CID 76328816
1-[4-(4-benzylpiperazin-1-yl)-6-(1H-indol-3-ylsulfanyl)pyrimidin-2-yl]-3-phenylurea
CID 162663225
N-(1-benzylpiperidin-4-yl)-6-phenylthieno[3,2-d]pyrimidin-4-amine
CID 2809036
N-(3-(methylthio)phenyl)-7-(pyridin-2-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 11313605
N-(4-methylsulfanylphenyl)-2-(4-pyridyl)quinazolin-4-amine
CID 90361140
N-(4-methylsulfanylphenyl)-2-piperidin-1-yl-7-[3-(trifluoromethyl)pyridin-2-yl]-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-4-amine
CID 58972768
(2S)-3-(4-fluorophenyl)-1-N-(2-pyridin-4-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)propane-1,2-diamine
CID 89596303

Frequently Asked Questions

What is the IUPAC name of 6-(2,3-dihydroindol-1-yl)-2-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine?
The IUPAC name of 6-(2,3-dihydroindol-1-yl)-2-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine (CID 91455202) is 6-(2,3-dihydroindol-1-yl)-2-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 6-(2,3-dihydroindol-1-yl)-2-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 6-(2,3-dihydroindol-1-yl)-2-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine is Nc1cc(N2CCc3ccccc32)nc(Nc2ccc(Sc3ccncc3)c(F)c2)n1.
What is the InChIKey of 6-(2,3-dihydroindol-1-yl)-2-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine?
The InChIKey is XWVUTTRCINGFAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN6S/c24-18-13-16(5-6-20(18)31-17-7-10-26-11-8-17)27-23-28-21(25)14-22(29-23)30-12-9-15-3-1-2-4-19(15)30/h1-8,10-11,13-14H,9,12H2,(H3,25,27,28,29).
What are the key properties of 6-(2,3-dihydroindol-1-yl)-2-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine?
6-(2,3-dihydroindol-1-yl)-2-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine has a molecular weight of 430.51 g/mol, XLogP of 5.18, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-dihydroindol-1-yl)-2-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 91455202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).