6-(1H-indol-6-yl)-2-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-4-amine

C23H22N4 — CID 123482750

IUPAC6-(1H-indol-6-yl)-2-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-4-amine
SMILESCc1nc(NC2CCCc3ccccc32)cc(-c2ccc3cc[nH]c3c2)n1
InChIInChI=1S/C23H22N4/c1-15-25-22(18-10-9-17-11-12-24-21(17)13-18)14-23(26-15)27-20-8-4-6-16-5-2-3-7-19(16)20/h2-3,5,7,9-14,20,24H,4,6,8H2,1H3,(H,25,26,27)
InChIKeySBPOILUWDXXFLG-UHFFFAOYSA-N
MW354.46 g/mol
LogP5.42
Rot. Bonds3

About 6-(1H-indol-6-yl)-2-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-4-amine

6-(1H-indol-6-yl)-2-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-4-amine (PubChem CID 123482750) has the molecular formula C23H22N4 and a molecular weight of 354.46 g/mol. Its IUPAC name is 6-(1H-indol-6-yl)-2-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-(1H-indol-6-yl)-2-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-4-amine
PubChem CID123482750
Molecular FormulaC23H22N4
Molecular Weight354.46 g/mol
Exact Mass354.18
IUPAC Name6-(1H-indol-6-yl)-2-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-4-amine
SMILESCc1nc(NC2CCCc3ccccc32)cc(-c2ccc3cc[nH]c3c2)n1
InChIInChI=1S/C23H22N4/c1-15-25-22(18-10-9-17-11-12-24-21(17)13-18)14-23(26-15)27-20-8-4-6-16-5-2-3-7-19(16)20/h2-3,5,7,9-14,20,24H,4,6,8H2,1H3,(H,25,26,27)
InChIKeySBPOILUWDXXFLG-UHFFFAOYSA-N
XLogP5.42
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.46
LogP ≤ 55.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(1H-indol-6-yl)-2-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-4-amine?
The IUPAC name of 6-(1H-indol-6-yl)-2-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-4-amine (CID 123482750) is 6-(1H-indol-6-yl)-2-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-4-amine.
What is the SMILES notation for 6-(1H-indol-6-yl)-2-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-4-amine?
The canonical SMILES for 6-(1H-indol-6-yl)-2-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-4-amine is Cc1nc(NC2CCCc3ccccc32)cc(-c2ccc3cc[nH]c3c2)n1.
What is the InChIKey of 6-(1H-indol-6-yl)-2-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-4-amine?
The InChIKey is SBPOILUWDXXFLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4/c1-15-25-22(18-10-9-17-11-12-24-21(17)13-18)14-23(26-15)27-20-8-4-6-16-5-2-3-7-19(16)20/h2-3,5,7,9-14,20,24H,4,6,8H2,1H3,(H,25,26,27).
What are the key properties of 6-(1H-indol-6-yl)-2-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-4-amine?
6-(1H-indol-6-yl)-2-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-4-amine has a molecular weight of 354.46 g/mol, XLogP of 5.42, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1H-indol-6-yl)-2-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 123482750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).